Basic information
- CAS
89781-49-7- Standard SMILES
CCN(CC)C(=O)C=CC(=O)c1ccccc1- InChIKey
CXSXQJABMBLACR-UHFFFAOYSA-N- Molecular formula
- C14H17NO2
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.12592879
Names & identifiers
- Preferred name
- N,N-diethyl-4-oxo-4-phenylbut-2-enamide
- IUPAC
- N,N-diethyl-4-oxo-4-phenylbut-2-enamide
Names & synonyms
89781-49-7N,N-diethyl-4-oxo-4-phenylbut-2-enamideSCHEMBL10950191DTXSID70706365
Database identifiers
- CAS
89781-49-7- PubChem CID
- 53745778
- DTXSID
DTXSID70706365
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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