Basic information
- CAS
1664-58-0- Standard SMILES
NC(=O)C=Cc1cccc([N+](=O)[O-])c1- InChIKey
QDGXIICOKBFSQX-UHFFFAOYSA-N- Molecular formula
- C9H8N2O3
- Average molar mass
- 192.17 g/mol
- Monoisotopic mass
- 192.05349212
Names & identifiers
- Preferred name
- 3-(3-Nitrophenyl)prop-2-enamide
- IUPAC
- 3-(3-nitrophenyl)prop-2-enamide
Names & synonyms
3-(3-nitrophenyl)prop-2-enamide3-(3-Nitrophenyl)-2-propenamideSCHEMBL3726937DTXSID8013045981664-58-0
Database identifiers
- CAS
1664-58-0- PubChem CID
- 692292
- DTXSID
DTXSID801304598
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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