Basic information
- CAS
6824-60-8- Standard SMILES
CC1=CCC(C#N)CC1- InChIKey
WJCYDDFWVABXMW-UHFFFAOYSA-N- Molecular formula
- C8H11N
- Average molar mass
- 121.18 g/mol
- Monoisotopic mass
- 121.08914936
Names & identifiers
- Preferred name
- 4-Methyl-3-cyclohexene-1-carbonitrile
- IUPAC
- 4-methylcyclohex-3-ene-1-carbonitrile
Names & synonyms
4-Methyl-3-cyclohexene-1-carbonitrile6824-60-8DTXSID80334911RefChem:294300DTXCID602860004-methylcyclohex-3-ene-1-carbonitrileSCHEMBL7578021
Database identifiers
- CAS
6824-60-8- PubChem CID
- 522299
- DTXSID
DTXSID80334911- Nikkaji
- J1.300.437D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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