chempirical

1-Cyclohexene-1-carbonitrile

C7H9NCAS 1855-63-6107.16 g/mol

Open in Covalent MOL file
N
AlkeneNitrile

Properties

Molecular formula
C7H9N
Molar mass
107.16 g/mol
Exact mass
107.0735 Da
Density
0.9473 g/mL (at 20 °C)
Boiling point
77–87 °C (at 12 Torr)
logP
2.01Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
1855-63-6
SMILES
N#CC1=CCCCC1
InChIKey
GTMWGXABXQTZRJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h4H,1-3,5H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

5 names
  • 1-Cyanocyclohexene
  • 1-Cyclohexenyl cyanide
  • 1-Cyano-1-cyclohexene
  • NSC 177484
  • 1-Cyclohexenecarbonitrile

Work with 1-Cyclohexene-1-carbonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

3-Cyclohexene-1-carbonitrile100-45-8 Benzylamine100-46-9 N-Methylaniline100-61-8 2-Ethylpyridine100-71-0 4-Methylaniline106-49-0 M-Toluidine108-44-1 2,4-Lutidine108-47-4 2,6-Lutidine108-48-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook