chempirical

2-Oxocyclopentanecarbonitrile

C6H7NOCAS 2941-29-9109.13 g/mol

Open in Covalent MOL file
NO
KetoneNitrile

Properties

Molecular formula
C6H7NO
Molar mass
109.13 g/mol
Exact mass
109.0528 Da
Density
1.089 g/mL (at 414 °C)
Boiling point
229–230 °C
logP
0.88Crippen estimate
Polar surface area
40.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
2941-29-9
SMILES
N#CC1CCCC1=O
InChIKey
IPMQSLPLJDKUPI-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO/c7-4-5-2-1-3-6(5)8/h5H,1-3H2

Weigh it out

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

Names and synonyms

5 names
  • Cyclopentanecarbonitrile, 2-oxo-
  • 2-Cyanocyclopentanone
  • NSC 146861
  • 2-Cyano-1-cyclopentanone
  • 2-Oxocyclopentane-1-carbonitrile

Work with 2-Oxocyclopentanecarbonitrile

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

2-Methylcyclopentanone1120-72-541 % similar 2-Chlorocyclopentanone694-28-041 % similar 2-Oxocyclohexanepropanenitrile4594-78-941 % similar 2-Cyclopentylcyclopentanone4884-24-640 % similar 2-Acetylcyclopentanone1670-46-838 % similar β-Oxocyclopentanepropanenitrile95882-33-038 % similar 3-Cyclopropyl-3-oxopropanenitrile118431-88-235 % similar 2-Methylcyclohexanone583-60-835 % similar

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

Same formula

2-Hydroxy-3-methylpyridine1003-56-1 4-Methylpyridine N-oxide1003-67-4 2-Hydroxy-5-methylpyridine1003-68-5 3-Methylpyridine N-oxide1003-73-2 3-Pyridinemethanol100-55-0 Phenylhydroxylamine100-65-2 3-Acetylpyrrole1072-82-8 2-Acetylpyrrole1072-83-9

Elsewhere

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