chempirical

3-Cyclopropyl-3-oxopropanenitrile

C6H7NOCAS 118431-88-2109.13 g/mol

Open in Covalent MOL file
ON
KetoneNitrile

Properties

Molecular formula
C6H7NO
Molar mass
109.13 g/mol
Exact mass
109.0528 Da
logP
0.88Crippen estimate
Polar surface area
40.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
118431-88-2
SMILES
C1CC1C(=O)CC#N
InChIKey
SDARMQNRQJBGQE-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO/c7-4-3-6(8)5-1-2-5/h5H,1-3H2

Weigh it out

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

Work with 3-Cyclopropyl-3-oxopropanenitrile

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

β-Oxocyclopentanepropanenitrile95882-33-083 % similar 2-Oxocyclohexanepropanenitrile4594-78-948 % similar Cyanoacetic acid372-09-841 % similar Pivaloylacetonitrile59997-51-238 % similar 1-Methylethyl 2-cyanoacetate13361-30-338 % similar Methyl cyanoacetate105-34-037 % similar Sodium cyanoacetate1071-36-937 % similar Propyl cyanoacetate14447-15-536 % 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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