2-Acetyl-1-phenylpyrazolidin-3-one
Basic information
- CAS
2655-46-1- Standard SMILES
CC(=O)N1C(=O)CCN1c1ccccc1- InChIKey
GCYDZZBQYRCILB-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.08987763
Names & identifiers
- Preferred name
- 2-Acetyl-1-phenylpyrazolidin-3-one
- IUPAC
- 2-acetyl-1-phenylpyrazolidin-3-one
Names & synonyms
2-acetyl-1-phenylpyrazolidin-3-one2655-46-1BAS 043964733-Pyrazolidinone, 2-acetyl-1-phenyl-Oprea1_556014SCHEMBL5674146DTXSID903343011-Phenyl-2-acetyl-3-pyrazolidone2-acetyl-1-phenyl-3-pyrazolidinoneSTK123852AKOS000670694AK-968/15253345
Show more names
SR-01000323006SR-01000323006-1
Database identifiers
- CAS
2655-46-1- PubChem CID
- 520274
- DTXSID
DTXSID90334301
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 272
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Compound notes
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