Molecule ID: 54693243

IUPAC Name: 4-acetyl-3-hydroxy-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one

Description: The molecule is a pyrroline cyclic ketone that is an isomer of tenuazonic acid, a mycotoxin produced by various plant pathogenic fungi. It is a pyrroline and a cyclic ketone.

SMILES: CC(=O)C1=C(O)C(CC(C)C)N=C1O

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

InChI: InChI=1S/C10H15NO3/c1-5(2)4-7-9(13)8(6(3)12)10(14)11-7/h5,7,13H,4H2,1-3H3,(H,11,14)

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 1.2