2-Cyano-2-(propan-2-yl)pentanamide
Basic information
- CAS
7596-98-7- Standard SMILES
CCCC(C#N)(C(N)=O)C(C)C- InChIKey
AQLPSNIJJUKTEI-UHFFFAOYSA-N- Molecular formula
- C9H16N2O
- Average molar mass
- 168.24 g/mol
- Monoisotopic mass
- 168.12626314
Names & identifiers
- Preferred name
- 2-Cyano-2-(propan-2-yl)pentanamide
- IUPAC
- 2-cyano-2-propan-2-ylpentanamide
Names & synonyms
7596-98-72-Cyano-2-(propan-2-yl)pentanamideNSC406071DTXSID00324233NSC-406071
Database identifiers
- CAS
7596-98-7- PubChem CID
- 347408
- DTXSID
DTXSID00324233
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 214
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Compound notes
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