Molecule ID: 10971

IUPAC Name: but-2-ynediamide

Description: The molecule is a dicarboxylic acid diamide resulting from the formal condensation of both of the carboxy groups of butynedioic acid with ammonia. An antibacterial agent produced by Streptomyces chibaensis. It has a role as an antimicrobial agent, an antibacterial agent, a metabolite and a pesticide. It is a ynamide, a dicarboxylic acid diamide and a primary carboxamide. It derives from a butynedioic acid.

SMILES: N=C(O)C#CC(=N)O

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

InChI: InChI=1S/C4H4N2O2/c5-3(7)1-2-4(6)8/h(H2,5,7)(H2,6,8)

Molecular Properties:
- Polar Surface Area: 86.2 Ų
- LogP: -1.2