Molecule ID: 107297

IUPAC Name: 3-methylpiperazine-2,5-dione

Description: The molecule is a member of the class of 2,5-diketopiperazines that is piperazine substituted by oxo groups at positions 2 and 5, and by a methyl group at position 3. It has a role as a Penicillium metabolite.

SMILES: CC1N=C(O)CN=C1O

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

InChI: InChI=1S/C5H8N2O2/c1-3-5(9)6-2-4(8)7-3/h3H,2H2,1H3,(H,6,9)(H,7,8)

Molecular Properties:
- Polar Surface Area: 58.2 Ų
- LogP: -0.9