Molecule ID: 2230

IUPAC Name: methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate

Description: The molecule is a tetrahydropyridine that is 1,2,5,6-tetrahydropyridine with a methyl group at position 1, and a methoxycarbonyl group at position 3. An alkaloid found in the areca nut, it acts as an agonist of muscarinic acetylcholine. It has a role as a muscarinic agonist and a metabolite. It is a tetrahydropyridine, an enoate ester, a pyridine alkaloid and a methyl ester.

SMILES: COC(=O)C1=CCCN(C)C1

SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][C][N][Branch1][C][C][C][Ring1][#Branch1]

InChI: InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3

Molecular Properties:
- Polar Surface Area: 29.5 Ų
- LogP: 0.3