N-(sec-Butyl)-5-nitro-2-furylacrylamide
Basic information
- CAS
97461-40-0- Standard SMILES
CCC(C)NC(=O)C=Cc1ccc([N+](=O)[O-])o1- InChIKey
ISQUUOWHUXZDPH-UHFFFAOYSA-N- Molecular formula
- C11H14N2O4
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.09535693
Names & identifiers
- Preferred name
- N-(sec-Butyl)-5-nitro-2-furylacrylamide
- IUPAC
- N-butan-2-yl-3-(5-nitrofuran-2-yl)prop-2-enamide
Names & synonyms
N-(1-Methylpropyl)-3-(5-nitro-2-furanyl)-2-propenamide97461-40-0N-(1-Methylpropyl)-5-nitro-2-furanacrylamideCCRIS 5650N-(sec-Butyl)-5-nitro-2-furylacrylamideBRN 00190122-Propenamide, N-(1-methylpropyl)-3-(5-nitro-2-furanyl)-DTXSID20874220n-(butan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide
Database identifiers
- CAS
97461-40-0- PubChem CID
- 93522
- DTXSID
DTXSID20874220
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 311
Experimental & physicochemical properties
LogP2.28
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Compound notes
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