Basic information
- CAS
121802-99-1- Standard SMILES
CC(C)=Cc1ncc(C#N)n1C- InChIKey
BXNADKKLRSOKHM-UHFFFAOYSA-N- Molecular formula
- C9H11N3
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.09529736
Names & identifiers
- Preferred name
- 1-Methyl-2-(2-methyl-1-propenyl)-1H-imidazole-5-carbonitrile
- IUPAC
- 3-methyl-2-(2-methylprop-1-enyl)imidazole-4-carbonitrile
Names & synonyms
121802-99-1DTXSID409239661-Methyl-2-(2-methyl-1-propenyl)-1H-imidazole-5-carbonitrile1-methyl-2-(2-methylprop-1-en-1-yl)-1H-imidazole-5-carbonitrile
Database identifiers
- CAS
121802-99-1- PubChem CID
- 147686
- DTXSID
DTXSID40923966
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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