JAZL/ChemGist-CHON huggingface dataset:
Compound: Apimostinel
SMILES: O=C(N[C@H](C(=O)N)[C@H](O)C)[C@]1(N(C(=O)[C@H]2N(C(=O)[C@@H](N)[C@H](O)C)CCC2)CCC1)Cc3ccccc3
InChIKey: DVBUEXCIEIAXPM-PJUQSVSOSA-N
Synonyms: Apimostinel, NRX-1074, Apimostinel [USAN], UNII-TTT1F11FZB, Apimostinel (USAN), NRX1074, APIMOSTINEL [INN], Threonyl-prolyl-2R-(2-benzyl)-prolyl-threonine amide, APIMOSTINEL [WHO-DD], L-Threoninamide, L-threonyl-L-prolyl-2-(phenylmethyl)-L-prolyl-, L-THREONYL-L-PROLYL-2-BENZYL-L-PROLYL-L-THREONINAMIDE N-METHYL-D-ASPARTATE, apimostinelum, (2S,3R)-2-(((2R)-1-((2S)-1-((2S,3R)-2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl)-2-benzylpyrrolidin-2-yl)formamido)-3-hydroxybutanamide, (2S,3R)-2-{[(2R)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-2-benzylpyrrolidin-2-yl]formamido}-3-hydroxybutanamide, RefChem:113411, 1421866-48-9, TTT1F11FZB, (2R)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-benzylpyrrolidine-2-carboxamide, orb1707647, CHEMBL3989872, SCHEMBL14682282, DTXSID101031863, AKOS040741155, DB11784, DA-70994, MS-29355, HY-102053, CS-0022853, NS00073441, D11299, G16359, Q27290341
Theoretical properties:
molecular_formula: C25H37N5O6
molecular_weight: 503.6 g/mol
exact_mass: 503.27438392 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 5
hydrogen_bond_acceptor_count: 7
rotatable_bond_count: 9
heavy_atom_count: 36
topological_polar_surface_area: 179 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: APIMOSTINEL is a protein listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Apimostinel (GATE-202, formerly NRX-1074) is an investigational antidepressant, acting as a novel and selective modulator of the NMDA receptor. It is currently under development for the acute treatment of major depressive disorder (MDD) by Syndeio Biosciences, and previously by Naurex and Allergan. As of February 2015, an intravenous formulation of apimostinel has completed a phase IIa clinical trial for MDD.
Similar to rapastinel (GLYX-13), its mechanism of action acts through a unique binding site on the NMDA receptor, independent of the glycine site, to modulate receptor activity and enhance NMDAR-mediated synaptic plasticity. However, apimostinel is 1000-fold more potent in vitro and is intended as an improved, follow-up drug to rapastinel. Similar to rapastinel, apimostinel is an amidated tetrapeptide, but has been structurally modified, via the addition of a benzyl group, to enhance its metabolic stability and pharmacokinetic profile. The drug has shown rapid and potent antidepressant effects in pre-clinical models of depression. In addition, similarly to rapastinel, it is well tolerated and lacks the hallucinosis-like psychotomimetic effects of NMDA receptor antagonists such as ketamine.
Compound: 2-PHENYLPYRIDINE
SMILES: n1c(-c2ccccc2)cccc1
InChIKey: VQGHOUODWALEFC-UHFFFAOYSA-N
Synonyms: 2-PHENYLPYRIDINE, 1008-89-5, Pyridine, 2-phenyl-, NSC-89291, 2Y6S09838Q, DTXSID6074417, RefChem:89106, DTXCID6032560, 213-763-1, o-Phenylpyridine, 2-phenyl-pyridine, MFCD00006280, phenylpyridine, EINECS 213-763-1, NSC 89291, phenyl pyridine, UNII-2Y6S09838Q, 2-phenyl pyridine, NSC89291, 2-Phenylpyridine, 98%, SCHEMBL6354, SCHEMBL35754, SCHEMBL37815, SCHEMBL69777, SCHEMBL231750, SCHEMBL295926, orb3030037, SCHEMBL1202054, SCHEMBL1316597, SCHEMBL5357259, CHEMBL1193163, SCHEMBL10812982, SCHEMBL15987487, SCHEMBL15987578, SCHEMBL15987742, SCHEMBL29360780, Fr14436, AKOS005257841, AC-5097, CS-W007468, FP33722, AS-14490, BP-10684, SY017662, DB-006211, NS00023005, P1039, ST50824513, EN300-105801, O10850, F047027, Q18205048, Z1255464971, InChI=1/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9
Theoretical properties:
molecular_formula: C11H9N
molecular_weight: 155.20 g/mol
exact_mass: 155.073499291 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 1
heavy_atom_count: 12
topological_polar_surface_area: 12.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
vapor_pressure: 0.0028 [mmHg]
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 2-Phenylpyridine is an organic compound with the formula C6H5C5H4N (or C11H9N). It is a colourless viscous liquid.  The compound and related derivatives have attracted interest as precursors to highly fluorescent metal complexes of possible value as organic light emitting diodes (OLEDs).
The compound is prepared by the reaction of phenyl lithium with pyridine:

C6H5Li + C5H5N → C6H5-C5H4N + LiH
The reaction of iridium trichloride with 2-phenylpyridine proceeds via cyclometallation to give the chloride-bridged complex:

4 C6H5-C5H4N + 2 IrCl3(H2O)3 → Ir2Cl2(C6H4-C5H4N)4 + 4 HCl
This complex can be converted to the pictured tris(cyclometallated) derivative tris(2-phenylpyridine)iridium.

The degree and regiochemistry of fluorination of metalated 2-phenylpyridine ligands in platinum(II) complexes significantly modifies the emission properties of the complexes.
Compound: Tremetone
SMILES: O=C(c1cc2c(O[C@H](C2)C(=C)C)cc1)C
InChIKey: UVYUUQGGBNKRFU-CYBMUJFWSA-N
Synonyms: Tremetone, Tremeton, 4976-25-4, 451MA27V7H, DTXSID501031865, NSC-247531, 1-[(2R)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl]ethanone, Ethanone, 1-(2,3-dihydro-2-(1-methylethenyl)-5-benzofuranyl)-, (R)-, 1-((2R)-2-isopropenyl-2,3-dihydrobenzofuran-5-yl)ethanone, 1-[(2R)-2-isopropenyl-2,3-dihydrobenzofuran-5-yl]ethanone, 1-((2R)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone, RefChem:190733, DTXCID701516869, (-)-Tremetone, AC1L2VQM, AC1Q5GF9, UNII-451MA27V7H, NSC 247531, TREMETONE [MI], AI3-44563, CHEBI:9656, CHEMBL463974, orb1701508, Ketone, 2,3-dihydro-2-isopropenyl-5-benzofuranyl methyl, AKOS040747548, CS-0083490, C08992, Q18208345, 2,3-DIHYDRO-2(R)-ISOPROPENYL-5-BENZOFURANYL METHYL KETONE
Theoretical properties:
molecular_formula: C13H14O2
molecular_weight: 202.25 g/mol
exact_mass: 202.099379685 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 15
topological_polar_surface_area: 26.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Tremetone is a member of benzofurans.
chembl: TREMETONE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Tremetone is a constituent of the toxic compound tremetol, found in snakeroot (Ageratina altissima), that contributes to cause milk sickness in humans and trembles in livestock. Tremetone is the main constituent of at least 11 chemically related substances in tremetol. Tremetone is toxic to fish, but not to chicken, and is therefore not the major toxic compound in tremetol. Tremetol can be found in a number of different species of the family Asteraceae, including snakeroot and rayless goldenrod (Isocoma pluriflora).
Compound: Triuret
SMILES: O=C(NC(=O)N)NC(=O)N
InChIKey: WNVQBUHCOYRLPA-UHFFFAOYSA-N
Synonyms: Triuret, 556-99-0, Diimidotricarbonic diamide, Carbonyldiurea, Dicarbamylurea, N,N'-bis(aminocarbonyl)urea, 2,4-diimidotricarbonic diamide, DTXSID9060314, 6ID4233C3S, NSC-29081, CHEBI:36955, RefChem:900646, DTXCID6041925, 209-147-7, [(carbamoylamino)carbonyl]urea, 1,3-dicarbamoylurea, Tricarbonodiimidic diamide, Urea, N,N'-bis(aminocarbonyl)-, Urea, N,N''-carbonylbis-, (Carbonylbis(azanediyl))bis(aminomethanone), 1,3-dicarbamylurea, Thiuret, UNII-6ID4233C3S, EINECS 209-147-7, NSC 29081, Urea,N''-carbonylbis-, TRIURET [MI], TRIURET [USP-RS], Tricarbonodiimidic diamide #, Urea,N'-bis(aminocarbonyl)-, SCHEMBL653996, AAA55699, NSC29081, MFCD00025439, AKOS006340624, AS-77942, NS00033370, C23132, D97221, EN300-153744, F510583, Q1569711, Z1203578071, (N H2) (C O) (N H) (C O) (N H) (C O) (N H2), TIU
Theoretical properties:
molecular_formula: C3H6N4O3
molecular_weight: 146.11 g/mol
exact_mass: 146.04399007 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 10
topological_polar_surface_area: 127 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Triuret is a member of condensed ureas.
wikipedia: Triuret is an organic compound with the formula (H2NC(O)NH)2CO. It is a product from the pyrolysis of urea. Triuret is a colorless, crystalline, hygroscopic solid, slightly soluble in cold water or ether, and more soluble in hot water.  It is a planar molecule. The central carbonyl is hydrogen-bonded to both terminal amino groups.
Compound: CHEMBL2372399
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N)CCCCN)CCC2)CCCNC(=N)N)CNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NCc3ccccc3)Cc4ccc(O)cc4)Cc5ccccc5)C(N[C@H](C(N[C@H]1[C@H](CC)C)=O)CCCNC(=N)N)=O
InChIKey: UWLIKQFWZOPOAX-KLROISQLSA-N
Synonyms: CHEMBL2372399, SCHEMBL29648900, BDBM50012153
Theoretical properties:
molecular_formula: C65H96N20O13
molecular_weight: 1365.6 g/mol
exact_mass: 1364.74657320 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 18
hydrogen_bond_acceptor_count: 17
rotatable_bond_count: 35
heavy_atom_count: 98
topological_polar_surface_area: 541 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: ZYKLOPHIN is a protein listed in the ChEMBL database but has not progressed to an approved clinical phase.
Compound: p-Methylphenethylamine
SMILES: NCCc1ccc(C)cc1
InChIKey: VKJXAQYPOTYDLO-UHFFFAOYSA-N
Synonyms: p-Methylphenethylamine, EINECS 221-865-2, DTXSID70186305, NSC 30278, RefChem:858129, DTXCID40108796, 221-865-2, 4-Methylphenethylamine, 3261-62-9, 2-(p-Tolyl)ethanamine, 2-(p-Tolyl)ethylamine, 2-(4-Methylphenyl)ethanamine, 2-(4-Methylphenyl)Ethan-1-Amine, Benzeneethanamine, 4-methyl-, 2-p-Tolyl-ethylamine, 2-(4-methylphenyl)ethylamine, MFCD00008195, 2APY7DEB6E, CHEMBL103299, NSC-30278, 4-Methylbenzeneethanamine, 2-(p-tolyl)ethan-1-amine, NSC30278, 2-p-tolylethanamine, 2-p-tolylethylamine, p-methylphenylethylamine, 4-methyl-phenethylamine, Mirabegron Impurity 92, para-methylphenethylamine, 2-(4-Tolyl)ethylamine, 2-(p-tolyl)-ethylamine, UNII-2APY7DEB6E, SCHEMBL6081, SCHEMBL577825, 2-(4-methylphenyl)-ethylamine, SCHEMBL3935939, 2-(p-Tolyl)ethylamine, 97%, SCHEMBL27370427, SCHEMBL27772432, SCHEMBL28627320, [2-(4-methylphenyl)ethyl]amine, 2-(4-methylphenyl)-ethyl-amine, 2-(4-Methylphenyl)ethanamine #, VKJXAQYPOTYDLO-UHFFFAOYSA-, BDBM50159267, AKOS000140916, EBC-605405, FM64402, SB36603, AS-19447, PD119599, DB-048239, NS00014304, ST51037926, T2864, EN300-146602, F018851, Q18349178, InChI=1/C9H13N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6-7,10H2,1H3
Theoretical properties:
molecular_formula: C9H13N
molecular_weight: 135.21 g/mol
exact_mass: 135.104799419 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 2
heavy_atom_count: 10
topological_polar_surface_area: 26 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 4-Methylphenethylamine (4MPEA), also known as para-methylphenethylamine, is an organic compound with the chemical formula of C9H13N.  4MPEA is a human trace amine associated receptor 1 (TAAR1) agonist, a property which it shares with its monomethylated phenethylamine isomers, such as amphetamine (α-methylphenethylamine), β-methylphenethylamine, and N-methylphenethylamine (a trace amine).  4MPEA also appears to inhibit the human cytochrome P450 enzymes CYP1A2 and CYP2A6, based upon the published literature.
Compound: (2S)-2-amino-5-oxopentanoic acid
SMILES: O=C(O)[C@@H](N)CCC=O
InChIKey: KABXUUFDPUOJMW-BYPYZUCNSA-N
Synonyms: (2S)-2-amino-5-oxopentanoic acid, 5-oxo-L-norvaline, gamma-Glutamyl semialdehyde, 4-CARBOXY-4-AMINOBUTANAL, L-Norvaline, 5-oxo-, Glutamate gamma-semialdehyde, B517ZPX7HX, L-Glutamic-gamma-semialdehyde, Glutamic acid gamma-semialdehyde, 2886-91-1, 2-Amino-5-oxopentanoic acid, GLUTAMIC ACID .GAMMA.-SEMIALDEHYDE, RefChem:398347, 5-Oxonorvaline, 496-92-4, L-glutamic 5-semialdehyde, L-Glutamate 5-semialdehyde, Glutamate-5-semialdehyde, glutamic gamma-semialdehyde, glutamate-semialdehyde, L-glutamate gamma-semialdehyde, L-glutamate-5-semialdehyde, (S)-2-Amino-5-oxopentanoic acid, UNII-B517ZPX7HX, L-Glutamic gamma-semialdehyde, L-Glutamate-gamma-semialdehyde, SCHEMBL157042, SCHEMBL4326333, CHEBI:17232, DTXSID601031870, GLUTAMIC .GAMMA.-SEMIALDEHYDE, AKOS006338289, DB04388, PD006253, NS00068587, C01165, Q2823261
Theoretical properties:
molecular_formula: C5H9NO3
molecular_weight: 131.13 g/mol
exact_mass: 131.058243149 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 4
heavy_atom_count: 9
topological_polar_surface_area: 80.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: L-glutamic 5-semialdehyde is a glutamic semialdehyde arising from formal reduction of the side-chain carboxy group of L-glutamic acid. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is a tautomer of a L-glutamic 5-semialdehyde zwitterion.
chebi: A glutamic semialdehyde arising from formal reduction of the side-chain carboxy group of <small>L</small>-glutamic acid.
wikipedia: MOTS-c (mitochondrial open reading frame of the 12S rRNA-c) is a 16-amino-acid peptide that in humans is encoded by the mitochondrial MT-RNR1 gene, with the amino acid sequence MRWQEMGYIFYPRKLR. It is believed to be involved in regulating metabolism of glucose by skeletal muscle tissue. It is upregulated in response to exercise, and is considered an exercise mimetic, as well as having other potential medical applications.
MOTS-c binds to casein kinase 2.
Compound: 1-TRIDECANOL
SMILES: OCCCCCCCCCCCCC
InChIKey: XFRVVPUIAFSTFO-UHFFFAOYSA-N
Synonyms: 1-TRIDECANOL, Tridecan-1-ol, 112-70-9, Tridecyl alcohol, n-Tridecan-1-ol, n-Tridecyl alcohol, n-Tridecanol, DTXSID2021947, NSC-5252, DTXCID901947, 8I9428H868, 1-tridecyl alcohol, RefChem:907858, 203-998-8, Tridecanol, 26248-42-0, 80206-82-2, 1-Hydroxytridecane, MFCD00004756, CAS-112-70-9, CCRIS 8591, HSDB 5574, NSC 5252, EINECS 203-998-8, BRN 1739991, AI3-35264, UNII-8I9428H868, EINECS 279-420-3, 1-Tridecanol, 97%, Maybridge1_004320, SCHEMBL20879, 1-TRIDECANOL [HSDB], BIDD:ER0306, CHEMBL24832, SCHEMBL135829, orb2308727, orb2942294, SCHEMBL1201761, SCHEMBL1272496, SCHEMBL2068936, SCHEMBL4603233, SCHEMBL9143850, WLN: Q13, SCHEMBL11797237, SCHEMBL19475134, SCHEMBL27311624, CHEBI:34123, HMS553M10, NSC5252, Tox21_202208, Tox21_300138, LMFA05000171, SBB080806, STL287936, AKOS005267216, CS-W004293, EBC-627206, HY-W004293, HY-W763562, NCGC00164019-01, NCGC00164019-02, NCGC00164019-03, NCGC00254162-01, NCGC00259757-01, 1-Tridecanol, purum, >=98.0% (GC), BP-28084, BS-14333, SY049489, NS00007712, ST45053940, H10847, EN300-1841776, F520909, Q161684, 85AD1334-FDF8-446D-BF63-A7EE6B26FE07, F0001-0261
Theoretical properties:
molecular_formula: C13H28O
molecular_weight: 200.36 g/mol
exact_mass: 200.214015512 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 11
heavy_atom_count: 14
topological_polar_surface_area: 20.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: WATER WHITE LIQ
color: WATER WHITE LIQ
odor: PLEASANT ODOR
boiling_point: 525 °F at 760 mmHg (USCG, 1999)
melting_point: 32.5 °C
density: 0.846 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: INSOL IN WATER; SOL IN ALCOHOL & IN ETHER /1-TRIDECANOL/
flash_point: 250 °F (USCG, 1999)
vapor_pressure: 3.62 mmHg at 260 °F (USCG, 1999)
Descriptions:
pubchem: Tridecan-1-ol is a long-chain primary fatty alcohol that is tridecane substituted by a hydroxy group at position 1. It has a role as a plant metabolite, a bacterial metabolite and a human metabolite. It is a tridecanol and a long-chain primary fatty alcohol.
chebi: A long-chain primary fatty alcohol that is tridecane substituted by a hydroxy group at position 1.
chembl: TRIDECAN-1-OL is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 1-Tridecanol (Tridecanol) is an organic compound with the formula C13H28O or CH3(CH2)12OH. It is a colorless oily solid that is classified as a primary alcohol.
Like related long chain alcohols, tridecanol is sometimes classified as a fatty alcohol because they were once obtained by hydrogenation of fats. Most fatty alcohols, however, have even numbers of carbons.  1-Tridecanol can be obtained by hydrogenation of tridecanal. 1-Tridecanol is used as a lubricant and for the manufacture of surfactants and plasticizers.
Compound: Chroman
SMILES: O1c2c(cccc2)CCC1
InChIKey: VZWXIQHBIQLMPN-UHFFFAOYSA-N
Synonyms: Chroman, Chromane, 3,4-Dihydro-2H-1-benzopyran, Dihydrobenzopyran, 2H-1-Benzopyran, 3,4-dihydro-, EJ8R7LY9PK, 3,4-dihydrobenzo[b]pyran, Benzopyran, 3,4-dihydro, CHEBI:33224, DTXSID10197758, 3,4-dihydrobenzo(b)pyran, RefChem:125835, DTXCID70120249, 874-955-4, VZWXIQHBIQLMPN-UHFFFAOYSA-N, 493-08-3, 3,4-dihydro-2H-chromene, 3,4-DIHYDRO-(1H)-BENZOPYRANE, MFCD00138123, racemic chroman, 3,4-dihydrobenzopyran, UNII-EJ8R7LY9PK, 3,4-dihydro-1-benzopyran, SCHEMBL8447, 3,4-dihydro-2H-benzopyran, SCHEMBL28415, SCHEMBL124208, SCHEMBL130778, SCHEMBL131072, SCHEMBL132193, SCHEMBL135424, SCHEMBL241643, SCHEMBL433176, SCHEMBL453819, SCHEMBL910334, orb3030419, SCHEMBL1230573, SCHEMBL1450831, SCHEMBL2870289, SCHEMBL3928581, SCHEMBL5313090, SCHEMBL15902294, SCHEMBL29356442, Fr13896, ALBB-025929, CS-M3130, AKOS006227680, AS-3232, SY174231, DB-013322, ST45021226, EN300-51665, F13522, F318750, Q1087547, Z728136016
Theoretical properties:
molecular_formula: C9H10O
molecular_weight: 134.17 g/mol
exact_mass: 134.073164938 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 10
topological_polar_surface_area: 9.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Chromane is a benzopyran consisting of a pyran ring having a benzene ring ortho-fused across positions 2 and 3.
chebi: A benzopyran consisting of a pyran ring having a benzene ring <em>ortho</em>-fused across positions 2 and 3.
wikipedia: Chromane (benzodihydropyran) is a heterocyclic chemical compound with the chemical formula C9H10O.  Chromane is a structural feature of more complex compounds including E vitamins (tocopherols and tocotrienols), Dianin's compound, and the pharmaceutical drugs troglitazone, ormeloxifene, and nebivolol.  Such compounds are sometimes described as chromans.
Compound: 1-Aminoethanol
SMILES: OC(N)C
InChIKey: UJPKMTDFFUTLGM-UHFFFAOYSA-N
Synonyms: 1-Aminoethanol, ACETALDEHYDE AMMONIA, Ethanol, 1-amino-, Aldehyde ammonia, Accelerator AA, 4J67Y8SM0K, alpha-Aminoethyl alcohol, UNII-4J67Y8SM0K, ACETALDEHYDE AMMONIA [MI], .ALPHA.-AMINOETHYL ALCOHOL, EINECS 200-868-2, AI3-52423, RefChem:108781, (+-)-ACETALDEHYDE AMMONIA, ACETALDEHYDE AMMONIA, (+-)-, 200-868-2, 75-39-8, 1-aminoethan-1-ol, Aldehydammoniak, amino ethanol, SCHEMBL15047, SCHEMBL27194, SCHEMBL175942, SCHEMBL465433, SCHEMBL828736, SCHEMBL2314991, SCHEMBL5073709, SCHEMBL6434952, DTXSID60996495, (+/-)-ACETALDEHYDE AMMONIA, UN1841, AKOS006338851, ACETALDEHYDE AMMONIA, (+/-)-, NS00093600, Acetaldehyde ammonia [UN1841]  [Class 9], Q18205235
Theoretical properties:
molecular_formula: C2H7NO
molecular_weight: 61.08 g/mol
exact_mass: 61.052763847 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 4
topological_polar_surface_area: 46.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: 1-Aminoethanol is an organic compound with the formula CH3CH(NH2)OH.  It is classified as an alkanolamine.  Specifically, it is a structural isomer of 2-aminoethanol (ethanolamine).  These two compounds differ in the position of the amino group. Since the central carbon atom in 1-aminoethanol has four different substituents, the compound has two stereoisomers.  Unlike 2-aminoethanol, which is of considerable importance in commerce, 1-aminoethanol is not encountered as a pure material and is mainly of theoretical interest.
1-Aminoethanol exists in a solution of acetaldehyde and aqueous ammonia.
1-Aminoethanol is suggested as intermediate in Strecker reaction of alanine synthesis.
1-Aminoethanol was first prepared in 1833 by the German chemist Johann Wolfgang Döbereiner; its empirical formula was first determined by the German chemist Justus von Liebig in 1835.  The structure of 1-aminoethanol remained unproven until 1877, when the German-Italian chemist Robert Schiff showed that the structure was CH3CH(OH)NH2.
SMILES: O=C(O)C(=O)CC(=O)/C=C/C(=O)O
InChIKey: AZCFLHZUFANAOR-OWOJBTEDSA-N
Theoretical properties:
Physical properties:
Descriptions:
chebi: A  4,6-dioxohept-2-enedioic acid that is pyruvic acid substituted at position 3 by a fumaryl group.
Compound: O-METHYLHYDROXYLAMINE
SMILES: O(N)C
InChIKey: GMPKIPWJBDOURN-UHFFFAOYSA-N
Synonyms: O-METHYLHYDROXYLAMINE, Methoxyamine, 67-62-9, Hydroxylamine, O-methyl-, Methoxylamine, Hydroxylamine methyl ether, alpha-Methylhydroxylamine, NCI-C60060, 9TZH4WY30J, DTXSID8043862, TRC102 Base, RefChem:157067, DTXCID6023862, 200-660-1, CH3ONH2, methane, O-aminohydroxy-, HSDB 2883, CH5NO, EINECS 200-660-1, UNII-9TZH4WY30J, BRN 1098249, methoxy amine, N-methoxyamine, MeONH2, NH2OMe, O-methyl hydroxylamine, O-methyl-hydroxylamine, O-methylhydroxyl amine, Spectrum_001650, O-methyl hydroxyl amine, SpecPlus_000744, Spectrum2_000914, Spectrum3_000765, Spectrum4_001103, Spectrum5_001275, METHOXYAMINE [MI], SCHEMBL567, O-Methylhydroxylamine, HCl, SCHEMBL22317, SCHEMBL57041, BSPBio_002410, KBioGR_001546, KBioSS_002130, 4-01-00-01252 (Beilstein Handbook Reference), DivK1c_000600, DivK1c_006840, METHOXYAMINE [WHO-DD], SCHEMBL570741, SPBio_000788, SCHEMBL1894230, SCHEMBL4580803, CHEMBL1213633, GMPKIPWJBDOURN-UHFFFAOYSA-, KBio1_000600, KBio1_001784, KBio2_002130, KBio2_004698, KBio2_007266, KBio3_001630, CHEBI:192842, NINDS_000600, O-METHYLHYDROXYLAMINE [HSDB], BBL028003, EBC-50101, MFCD00044753, STL373472, AKOS009087974, DB06328, IDI1_000600, NCGC00178666-01, BP-31110, InChI=1/CH5NO/c1-3-2/h2H2,1H3, NS00009844, F16476, BRD-K79277568-003-04-7, Q18344129
Theoretical properties:
molecular_formula: CH5NO
molecular_weight: 47.057 g/mol
exact_mass: 47.037113783 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 3
topological_polar_surface_area: 35.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: MOBILE LIQUID
color: MOBILE LIQUID
odor: FISHY, AMINE ODOR
boiling_point: 49-50 °C @ 760 MM HG
solubility: SLIGHTLY SOL IN BENZENE, PETROLEUM ETHER /N-METHYLHYDROXYLAMINE/
vapor_pressure: 291.0 [mmHg]
Descriptions:
pubchem: Methoxyamine is an organooxygen compound.
chembl: METHOXYAMINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Methoxyamine is the organic compound with the formula CH3ONH2.  Also called O-methylhydroxylamine, it is a colourless volatile liquid that is soluble in polar organic solvent and in water. It is a derivative of hydroxylamine with the hydroxyl hydrogen replaced by a methyl group, an alkoxyamine. Alternatively, it can be viewed as a derivative of methanol with the hydroxyl hydrogen replaced by an amino group. It is an isomer of N-methylhydroxylamine and aminomethanol.