1-Acetyl-3-benzylidene-4-methylpiperazine-2,5-dione
Completing data — refresh the page later to see the latest
Basic information
- CAS
80687-66-7- Standard SMILES
CC(=O)N1CC(=O)N(C)C(=Cc2ccccc2)C1=O- InChIKey
ZZKUYKZMOUIHKN-UHFFFAOYSA-N- Molecular formula
- C14H14N2O3
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.10044231
Names & identifiers
- Preferred name
- 1-Acetyl-3-benzylidene-4-methylpiperazine-2,5-dione
- IUPAC
- 1-acetyl-3-benzylidene-4-methylpiperazine-2,5-dione
Names & synonyms
1-Acetyl-3-benzylidene-4-methylpiperazine-2,5-dione80687-66-7SCHEMBL7808241DTXSID20712299ZZKUYKZMOUIHKN-UHFFFAOYSA-N1-acetyl-3-benzylidene-4-methyl-2,5-piperazinedione
Database identifiers
- CAS
80687-66-7- PubChem CID
- 54574229
- DTXSID
DTXSID20712299
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 436
Related reactions
2 records
Compound notes
Loading…