2-Butenamide, N-(4-nitrophenyl)-
Basic information
- CAS
51944-68-4- Standard SMILES
C/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1- InChIKey
MTICSDUTLDMTET-NSCUHMNNSA-N- Molecular formula
- C10H10N2O3
- Average molar mass
- 206.2 g/mol
- Monoisotopic mass
- 206.06914219
Names & identifiers
- Preferred name
- 2-Butenamide, N-(4-nitrophenyl)-
- IUPAC
- (E)-N-(4-nitrophenyl)but-2-enamide
Names & synonyms
2-Butenamide, N-(4-nitrophenyl)-51944-68-42-Butenamide,N-(4-nitrophenyl)-SCHEMBL31596017
Database identifiers
- CAS
51944-68-4- PubChem CID
- 5463263
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 262
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Compound notes
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