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

Hazards

Danger
Flammable (GHS02)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

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 4-Cyanopiperidine4395-98-655 % similar 4-Piperidinecarbonitrile hydrochloride240401-22-348 % similar 4-Oxocyclohexane-1-carbonitrile34916-10-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Hexenenitrile5048-19-1 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