Molecule ID: 441580

IUPAC Name: (5S)-3-acetyl-5-[(2S)-butan-2-yl]pyrrolidine-2,4-dione

Description: The molecule is a member of the class of pyrrolidin-2-ones that is 5-(butan-2-yl)pyrrolidine-2,4-dione carrying an additional acetyl group at position 3. A mycotoxin produced by various plant pathogenic fungi. It has a role as a mycotoxin, a human urinary metabolite and a protein synthesis inhibitor. It is a methyl ketone, a member of pyrrolidin-2-ones and a beta-diketone. It is a conjugate acid of a tenuazonic acid(1-).

SMILES: CC[C@H](C)[C@@H]1N=C(O)C(C(C)=O)C1=O

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

InChI: InChI=1S/C10H15NO3/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h5,7-8H,4H2,1-3H3,(H,11,14)/t5-,7?,8-/m0/s1

Molecular Properties:
- Polar Surface Area: 63.2 Ų
- LogP: 1.0