chempirical

3-Oxocyclobutane-1-carbonitrile

C5H5NOCAS 20249-16-595.10 g/mol

Open in Covalent MOL file
ON
KetoneNitrile

Properties

Molecular formula
C5H5NO
Molar mass
95.10 g/mol
Exact mass
95.0371 Da
logP
0.49Crippen 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
20249-16-5
SMILES
C1C(CC1=O)C#N
InChIKey
MSAGLWTVMUDVDT-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2

Weigh it out

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Names and synonyms

1 names
  • 3-Oxo-cyclobutanecarbonitrile

Work with 3-Oxocyclobutane-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

4-Oxocyclohexane-1-carbonitrile34916-10-458 % similar 3-Methylenecyclobutanecarbonitrile15760-35-750 % similar 3-(Cyanomethylene)cyclobutanecarbonitrile1153949-98-444 % similar Cyclopropyl cyanide5500-21-043 % similar Cyclopentanecarbonitrile4254-02-839 % similar Cyclobutanecarbonitrile4426-11-339 % similar Isobutyl ketone108-83-838 % similar 3-Bromocyclobutanone23761-24-238 % similar

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

Same formula

Pyrrole-2-carboxaldehyde1003-29-8 4-Pyridone108-96-3 3-Hydroxypyridine109-00-2 2-Pyridone142-08-5 4-Hydroxypyridine626-64-2 Pyridine-N-oxide694-59-7 Pyrrole-3-carboxaldehyde7126-39-8 2-Pyridinol72762-00-6

Elsewhere

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