Basic information
- Standard SMILES
CCCc1nc(C(=O)C(C)(C)C)c(C#N)[nH]1- InChIKey
BXMAORAOLCEYQU-UHFFFAOYSA-N- Molecular formula
- C12H17N3O
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.13716217
Names & identifiers
- Preferred name
- 2-Propyl-4-pivaloylimidazole-5-carbonitrile
- IUPAC
- 5-(2,2-dimethylpropanoyl)-2-propyl-1H-imidazole-4-carbonitrile
Names & synonyms
SCHEMBL7303027BXMAORAOLCEYQU-UHFFFAOYSA-N2-propyl-4-pivaloylimidazole-5-carbonitrile
Database identifiers
- PubChem CID
- 19036216
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 310
Related reactions
6 records
Compound notes
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