Piperazinone, 3-(2-(4-methylphenyl)-2-oxoethylidene)-
Basic information
- CAS
63656-21-3- Standard SMILES
Cc1ccc(C(=O)/C=C2\NCCNC2=O)cc1- InChIKey
ZPDFMQNMOLKHDS-FLIBITNWSA-N- Molecular formula
- C13H14N2O2
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.10552769
Names & identifiers
- Preferred name
- Piperazinone, 3-(2-(4-methylphenyl)-2-oxoethylidene)-
- IUPAC
- (3Z)-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one
Names & synonyms
63656-21-3Piperazinone, 3-(2-(4-methylphenyl)-2-oxoethylidene)-RefChem:1096106(3Z)-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one3-[2-(4-methylphenyl)-2-oxoethylidene]-2-piperazinoneSR-01000200193BRN 07870993-(2-Oxo-2-p-tolyl-ethylidene)-piperazin-2-oneMLS0001211293-(2-(4-Methylphenyl)-2-oxoethylidene)piperazinoneCHEMBL1327858ZPDFMQNMOLKHDS-FLIBITNWSA-N
Show more names
2-(4-Methylbenzoyl)methylene-3,4,5,6-tetrahydropyrazinone-3HMS2344N20STK832779AKOS000572997SMR0001185965-24-08-00219 (Beilstein Handbook Reference)SR-01000200193-1SR-01000200193-2
Database identifiers
- CAS
63656-21-3- PubChem CID
- 702997
- ChEMBL
CHEMBL1327858
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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