Molecule ID: 52944012

IUPAC Name: 5-(1-methyl-2,3-dihydropyrrol-5-yl)-1H-pyridin-2-one

Description: The molecule is a member of the class of pyrrolines that is N-methyl-2-pyrroline carrying a 6-hydroxypyridin-3-yl substituent at position 2. It has a role as a bacterial xenobiotic metabolite. It is a pyrroline and a monohydroxypyridine. It derives from a myosmine. It is a conjugate base of a 6-hydroxy-N-methylmyosmine(1+).

SMILES: CN1CCC=C1c1ccc(O)nc1

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

InChI: InChI=1S/C10H12N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h3-5,7H,2,6H2,1H3,(H,11,13)

Molecular Properties:
- Polar Surface Area: 32.299 Ų
- LogP: 0.4