chempirical

3-Cyclohexene-1-carbonitrile

C7H9NCAS 100-45-8107.16 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
0.9555 g/mL (at 20 °C)
Boiling point
83 °C (at 20 Torr)
logP
1.87Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
100-45-8
SMILES
N#CC1CC=CCC1
InChIKey
GYBNBQFUPDFFQX-UHFFFAOYSA-N
InChI
InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-5H2

Weigh it out

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

Names and synonyms

8 names
  • 3-Cyclohexenyl cyanide
  • 4-Cyanocyclohexene
  • 3-Cyclohexenecarbonitrile
  • 1-Cyano-3-cyclohexene
  • 4-Cyano-1-cyclohexene
  • Cyclohex-3-enenitrile
  • (±)-3-Cyclohexene-1-carbonitrile
  • NSC 7407

Work with 3-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

Cyclopropyl cyanide5500-21-045 % similar Cyclopentanecarbonitrile4254-02-842 % similar Cyclobutanecarbonitrile4426-11-342 % similar Cyclohexanecarbonitrile766-05-240 % similar Tetrahydro-2H-pyran-4-carbonitrile4295-99-237 % similar 4-Cyanopiperidine4395-98-637 % similar 4-Methylcyclohexene591-47-937 % similar 1,3,6-Hexanetricarbonitrile1772-25-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

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 1-Cyclohexene-1-carbonitrile1855-63-6

Elsewhere

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