Molecule ID: 409

IUPAC Name: 3-(1-methyl-1-oxidopyrrolidin-1-ium-2-yl)pyridine

Description: The molecule is a tertiary amine oxide resulting from the oxidation of the pyrrolidine nitrogen of nicotine. It is a member of pyrrolidine N-oxides and a member of pyridines. It derives from a hydride of a nicotine.

SMILES: C[N+]1([O-])CCCC1c1cccnc1

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

InChI: InChI=1S/C10H14N2O/c1-12(13)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3

Molecular Properties:
- Polar Surface Area: 31.0 Ų
- LogP: 0.7