Basic information
- CAS
89600-60-2- Standard SMILES
CC(C)C(C#N)C(N)=O- InChIKey
CLNJMIXFJQXEKR-UHFFFAOYSA-N- Molecular formula
- C6H10N2O
- Average molar mass
- 126.16 g/mol
- Monoisotopic mass
- 126.07931295
Names & identifiers
- Preferred name
- 2-Cyano-3-methylbutanamide
- IUPAC
- 2-cyano-3-methylbutanamide
Names & synonyms
89600-60-22-cyano-3-methylbutanamideNSC406055NCIOpen2_003689SCHEMBL16814565DTXSID70324220AKOS011118225NSC-406055
Database identifiers
- CAS
89600-60-2- PubChem CID
- 347393
- DTXSID
DTXSID70324220
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- 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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