Molecule ID: 10800632

IUPAC Name: (E)-1-(2,3-dihydropyrrol-1-yl)-2-methyldec-8-ene-1,3-dione

Description: The molecule is a member of the class of pyrroles that is 2,3-dihydro-1H-pyrrole substituted by a 9-methyl-8,10-dioxodec-2-en-10-yl group at the nitrogen atom. Isolated from Penicillium citrinum and Penicillium brevicompactum, it exhibits antifungal activity. It has a role as an antifungal agent and a Penicillium metabolite. It is a member of pyrroles, a ketone and a monocarboxylic acid amide.

SMILES: C/C=C/CCCCC(=O)C(C)C(=O)N1C=CCC1

SELFIES: [C][/C][=C][/C][C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][C][Ring1][Branch1]

InChI: InChI=1S/C15H23NO2/c1-3-4-5-6-7-10-14(17)13(2)15(18)16-11-8-9-12-16/h3-4,8,11,13H,5-7,9-10,12H2,1-2H3/b4-3+

Molecular Properties:
- Polar Surface Area: 37.4 Ų
- LogP: 2.8