Molecule ID: 6865700

IUPAC Name: (3Z,6S)-3-benzylidene-6-(2-methylpropyl)piperazine-2,5-dione

Description: The molecule is a member of the class of 2,5-diketopiperazines that is piperazine-2,5-dione in which two hydrogen at position 3 and one hydrogen at position 6 are replaced by benzylidene and isobutyl groups respectively.

SMILES: CC(C)C[C@@H]1N=C(O)/C(=C/c2ccccc2)N=C1O

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

InChI: InChI=1S/C15H18N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,16,19)(H,17,18)/b13-9-/t12-/m0/s1

Molecular Properties:
- Polar Surface Area: 58.2 Ų
- LogP: 2.5