Molecule ID: 16067346

IUPAC Name: 6-benzyl-4-oxopyran-3-carboxamide

Description: The molecule is a monocarboxylic acid amide that is 4H-pyran-3-carboxamide substituted by an oxo group at position 4 and a benzyl group at position 6. It has been isolated from Aspergillus niger and Aspergillus carbonarius. It has a role as an antineoplastic agent and an Aspergillus metabolite. It is a monocarboxylic acid amide and a member of 4-pyranones.

SMILES: N=C(O)c1coc(Cc2ccccc2)cc1=O

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

InChI: InChI=1S/C13H11NO3/c14-13(16)11-8-17-10(7-12(11)15)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,14,16)

Molecular Properties:
- Polar Surface Area: 69.4 Ų
- LogP: 1.7