chempirical

3-(Cyanomethylene)cyclobutanecarbonitrile

C7H6N2CAS 1153949-98-4118.14 g/mol

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NN
AlkeneNitrile

Properties

Molecular formula
C7H6N2
Molar mass
118.14 g/mol
Exact mass
118.0531 Da
logP
1.37Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
1153949-98-4
SMILES
C1C(CC1=CC#N)C#N
InChIKey
FIQUORCYNLUYSF-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2/c8-2-1-6-3-7(4-6)5-9/h1,7H,3-4H2

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Names and synonyms

1 names
  • 3-(Cyanomethylene)cyclobutane-1-carbonitrile

Work with 3-(Cyanomethylene)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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methylenecyclobutanecarbonitrile15760-35-744 % similar Cyclopropyl cyanide5500-21-038 % similar Cyclopentanecarbonitrile4254-02-835 % similar Cyclobutanecarbonitrile4426-11-335 % similar Cyclohexanecarbonitrile766-05-233 % similar 3-Cyclohexene-1-carbonitrile100-45-832 % similar 2-[1-(Ethylsulfonyl)-3-azetidinylidene]acetonitrile1187595-85-232 % similar Tetrahydro-2H-pyran-4-carbonitrile4295-99-231 % similar

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

Same formula

Pyridin-4-yl-acetonitrile13121-99-8 6-Methyl-2-pyridinecarbonitrile1620-75-3 4-Methyl-2-pyridinecarbonitrile1620-76-4 5-Methyl-2-pyridinecarbonitrile1620-77-5 2-Aminobenzonitrile1885-29-6 3-Methyl-2-pyridinecarbonitrile20970-75-6 3-Aminobenzonitrile2237-30-1 1H-Pyrrolo[2,3-C]pyridine271-29-4

Elsewhere

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