chempirical

Cyclopentanecarbonitrile

C6H9NCAS 4254-02-895.15 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C6H9N
Molar mass
95.15 g/mol
Exact mass
95.0735 Da
Density
0.916 g/mL (at 22 °C)
Melting point
76 °C
Boiling point
168–170 °C
logP
1.70Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
4254-02-8
SMILES
N#CC1CCCC1
InChIKey
SVPZJHKVRMRREG-UHFFFAOYSA-N
InChI
InChI=1S/C6H9N/c7-5-6-3-1-2-4-6/h6H,1-4H2

Weigh it out

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

Names and synonyms

5 names
  • Cyclopentanenitrile
  • Cyclopentyl cyanide
  • Cyclopentyl nitrile
  • Cyanocyclopentane
  • 1-Cyanocyclopentane

Work with Cyclopentanecarbonitrile

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cyclohexanecarbonitrile766-05-293 % similar Cyclobutanecarbonitrile4426-11-387 % similar Cyclopropyl cyanide5500-21-073 % similar 1,3,6-Hexanetricarbonitrile1772-25-459 % similar Tetrahydro-2H-pyran-4-carbonitrile4295-99-255 % similar 3-Cyclohexene-1-carbonitrile100-45-842 % similar 3-Methylenecyclobutanecarbonitrile15760-35-739 % similar 3-(Cyanomethylene)cyclobutanecarbonitrile1153949-98-435 % similar

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

Same formula

2,2-Dimethylcyclopropanecarbonitrile5722-11-2 1-Ethyl-1H-pyrrole617-92-5 2,4-Dimethylpyrrole625-82-1 2,5-Dimethylpyrrole625-84-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook