chempirical

4-Oxocyclohexane-1-carbonitrile

C7H9NOCAS 34916-10-4123.16 g/mol

Open in Covalent MOL file
ON
KetoneNitrile

Properties

Molecular formula
C7H9NO
Molar mass
123.16 g/mol
Exact mass
123.0684 Da
logP
1.27Crippen estimate
Polar surface area
40.9 Ų
H-bond donors / acceptors
0 / 2
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
34916-10-4
SMILES
C1CC(=O)CCC1C#N
InChIKey
QIWQJGMBIABGRX-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h6H,1-4H2

Weigh it out

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Names and synonyms

1 names
  • Cyclohexanecarbonitrile, 4-oxo-

Work with 4-Oxocyclohexane-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

3-Oxocyclobutane-1-carbonitrile20249-16-558 % similar Cyclopropyl cyanide5500-21-052 % similar Cyclopentanecarbonitrile4254-02-848 % similar Cyclobutanecarbonitrile4426-11-348 % similar Cyclohexanecarbonitrile766-05-246 % similar 4-Hydroxycyclohexanone13482-22-942 % similar Tetrahydro-2H-pyran-4-carbonitrile4295-99-242 % similar 4-Cyanopiperidine4395-98-642 % similar

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

Same formula

2-Methoxy-4-methylpyridine100848-70-2 (5-Methylpyridin-3-yl)methanol102074-19-1 2-Pyridineethanol103-74-2 P-Anisidine104-94-9 2,6-Dimethylpyridine N-oxide1073-23-0 2,6-Dimethyl-3-pyridinol1122-43-6 6-Methyl-2-pyridinemethanol1122-71-0 2-Methoxy-5-picoline13472-56-5

Elsewhere

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