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

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

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

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

Similar compounds

1-Cyclohexene-1-acetonitrile6975-71-946 % similar 1-Cyclopentene-1-acetonitrile22734-04-938 % similar Methylcyclohexene591-49-137 % similar 1-Chlorocyclohexene930-66-537 % similar 1-Cyclohexene-1-carboxaldehyde1192-88-734 % similar 1-Phenylcyclohexene31017-40-034 % similar 1-Phenylcyclohexene771-98-234 % similar 1-(1-Cyclohexen-1-yl)pyrrolidine1125-99-133 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

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

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