N-Isobutyl-5-nitro-2-furylacrylamide
Basic information
- CAS
89811-25-6- Standard SMILES
CC(C)CNC(=O)C=Cc1ccc([N+](=O)[O-])o1- InChIKey
HEJCLOIMZSBYGI-UHFFFAOYSA-N- Molecular formula
- C11H14N2O4
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.09535693
Names & identifiers
- Preferred name
- N-Isobutyl-5-nitro-2-furylacrylamide
- IUPAC
- N-(2-methylpropyl)-3-(5-nitrofuran-2-yl)prop-2-enamide
Names & synonyms
N-Isobutyl-5-nitro-2-furanacrylamide89811-25-6CCRIS 5649N-Isobutyl-5-nitro-2-furylacrylamideBRN 0019013N-(2-Methylpropyl)-3-(5-nitro-2-furanyl)-2-propenamide2-Propenamide, N-(2-methylpropyl)-3-(5-nitro-2-furanyl)-DTXSID10876450n-(2-methylpropyl)-3-(5-nitrofuran-2-yl)prop-2-enamide
Database identifiers
- CAS
89811-25-6- PubChem CID
- 93489
- DTXSID
DTXSID10876450
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- 309
Experimental & physicochemical properties
LogP2.23
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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