Molecule ID: 146037143

IUPAC Name: 5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidine-2,3-dione

Description: The molecule is a member of the class of pyrrolidin-2-ones that is pyrrolidine-2,3-dione which is substituted by two methyl groups at position 4 and by a 4-hydroxybenzyl group at position 5. It is a biologically active redox cofactor used by Mycobacterium smegmatis carveol dehydrogenase in the oxidation of carveol. It has a role as a cofactor. It is a member of phenols and a member of pyrrolidin-2-ones.

SMILES: CC1(C)C(=O)C(=O)NC1Cc1ccc(O)cc1

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

InChI: InChI=1S/C13H15NO3/c1-13(2)10(14-12(17)11(13)16)7-8-3-5-9(15)6-4-8/h3-6,10,15H,7H2,1-2H3,(H,14,17)

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 1.7