Basic information
- CAS
24801-79-4- Standard SMILES
C=CC(=O)NCCC#N- InChIKey
FTJXXXSSRCHQKC-UHFFFAOYSA-N- Molecular formula
- C6H8N2O
- Average molar mass
- 124.14 g/mol
- Monoisotopic mass
- 124.06366288
Names & identifiers
- Preferred name
- 2-Propenamide, N-(2-cyanoethyl)-
- IUPAC
- N-(2-cyanoethyl)prop-2-enamide
Names & synonyms
2-Propenamide, N-(2-cyanoethyl)-24801-79-4DTXSID90473668RefChem:266211DTXCID80424482N-(2-cyanoethyl)prop-2-enamideSCHEMBL413448SCHEMBL2657621
Database identifiers
- CAS
24801-79-4- PubChem CID
- 11819086
- DTXSID
DTXSID90473668
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 154
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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