Molecule ID: 91825566

IUPAC Name: (3R)-5-acetyl-3-ethyl-4-hydroxy-2,3-dihydro-1H-pyridin-6-one

Description: The molecule is a member of the class of piperidones that is piperidine-2,4-dione substituted by an ethyl group at position 5 and a 1-hydroxyethylidene group at position 3 (the (3E,5R-stereoisomer). It has been isolated from the solid-fermentation culture of Chaetomium globosum. It has a role as a Chaetomium metabolite.

SMILES: CC[C@@H]1CN=C(O)C(C(C)=O)=C1O

SELFIES: [C][C][C@@H1][C][N][=C][Branch1][C][O][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][#Branch2][O]

InChI: InChI=1S/C9H13NO3/c1-3-6-4-10-9(13)7(5(2)11)8(6)12/h6,12H,3-4H2,1-2H3,(H,10,13)/t6-/m1/s1

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 0.6