chempirical

Cyclobutanecarbonitrile

C5H7NCAS 4426-11-381.12 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C5H7N
Molar mass
81.12 g/mol
Exact mass
81.0578 Da
Density
0.868 g/mL (at 17 °C)
Boiling point
149.6 °C
logP
1.31Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
4426-11-3
SMILES
N#CC1CCC1
InChIKey
GFBLFDSCAKHHGX-UHFFFAOYSA-N
InChI
InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2

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

Names and synonyms

2 names
  • Cyclobutanenitrile
  • Cyanocyclobutane

Work with Cyclobutanecarbonitrile

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

Cyclopentanecarbonitrile4254-02-887 % similar Cyclohexanecarbonitrile766-05-281 % 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

3-Methylpyrrole616-43-3 1-Methylpyrrole96-54-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook