Molecule ID: 68107

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

Description: The molecule is a nicotine N(1')-oxide resulting from the oxidation of the pyrrolidine nitrogen of (S)-nicotine; major species at pH 7.3. It derives from a (S)-nicotine.

SMILES: C[N+]1([O-])CCC[C@H]1c1cccnc1

SELFIES: [C][N+1][Branch1][C][O-1][C][C][C][C@H1][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/t10-,12?/m0/s1

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