Molecule ID: 107963

IUPAC Name: (3R,5S)-3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one

Description: The molecule is an N-alkylpyrrolidine that is cotinine substituted at position C-3 by a hydroxy group (the 3R,5S-diastereomer). It is a N-alkylpyrrolidine, a member of pyridines, a pyrrolidine alkaloid and a member of pyrrolidin-2-ones. It derives from a (-)-cotinine.

SMILES: CN1C(=O)[C@H](O)C[C@H]1c1cccnc1

SELFIES: [C][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][C@H1][Ring1][#Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1]

InChI: InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9+/m0/s1

Molecular Properties:
- Polar Surface Area: 53.4 Ų
- LogP: -0.9