Molecule ID: 146037371

IUPAC Name: [5-[(4-hydroxyphenyl)methyl]-4,4-dimethyl-2-oxopyrrolidin-3-yl]azanium

Description: The molecule is a primary ammonium ion that is the conjugate acid of 3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one, obtained from the protonation of the primary amino group. Major species at pH 7.3. It is a conjugate acid of a 3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one.

SMILES: CC1(C)C(Cc2ccc(O)cc2)N=C(O)C1[NH3+]

SELFIES: [C][C][Branch1][C][C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][=C][Branch1][C][O][C][Ring1][#C][NH3+1]

InChI: InChI=1S/C13H18N2O2/c1-13(2)10(15-12(17)11(13)14)7-8-3-5-9(16)6-4-8/h3-6,10-11,16H,7,14H2,1-2H3,(H,15,17)/p+1

Molecular Properties:
- Polar Surface Area: 77.0 Ų
- LogP: 1.3