Basic information
- Standard SMILES
CC(=O)N1CC(=O)N/C(=C\c2ccccc2)C1=O- InChIKey
MJCOATFQVUUHFN-XFFZJAGNSA-N- Molecular formula
- C13H12N2O3
- Average molar mass
- 244.25 g/mol
Names & identifiers
- Preferred name
- (Z)-1-Acetyl-3-benzylidenepiperazine-2,5-dione
- IUPAC
- (3Z)-1-acetyl-3-benzylidenepiperazine-2,5-dione
Names & synonyms
(Z)-1-Acetyl-3-benzylidenepiperazine-2,5-dione30166-29-1(3Z)-1-acetyl-3-benzylidenepiperazine-2,5-dione(3Z)-1-ACETYL-3-(PHENYLMETHYLIDENE)PIPERAZINE-2,5-DIONE(3Z)-1-acetyl-3-benzylidene-2,5-piperazinedioneSCHEMBL79547MJCOATFQVUUHFN-XFFZJAGNSA-N41808-11-1AKOS02446298610.14272/MJCOATFQVUUHFN-XFFZJAGNSA-N.1(3Z)-1-acetyl-3-benzylidene-piperazine-2,5-dione1-Acetyl-3-[(Z)-benzylidene]-2,5-piperazinedione
Show more names
doi:10.14272/MJCOATFQVUUHFN-XFFZJAGNSA-N.1
Database identifiers
- PubChem CID
- 5915153
- Nikkaji
- J1.966.228D
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 408
Related reactions
2 records
Compound notes
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