chempirical

Cyclopropylacetonitrile

C5H7NCAS 6542-60-581.12 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C5H7N
Molar mass
81.12 g/mol
Exact mass
81.0578 Da
logP
1.31Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

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
6542-60-5
SMILES
C1CC1CC#N
InChIKey
FAUQRRGKJKMEIW-UHFFFAOYSA-N
InChI
InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2

Weigh it out

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

Work with Cyclopropylacetonitrile

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-Hydroxypentanedinitrile13880-89-245 % similar Isovaleronitrile625-28-545 % similar 3,3-Dimethoxypropionitrile57597-62-339 % similar 3-Cyclopropyl-3-oxopropanenitrile118431-88-236 % similar (S)-4-Chloro-3-hydroxybutyronitrile127913-44-436 % similar 3,3-Diethoxypropiononitrile2032-34-036 % similar β-Phenylbenzenepropanenitrile2286-54-636 % similar (3R)-4-Chloro-3-hydroxybutanenitrile84367-31-736 % similar

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

Same formula

Cyclobutanecarbonitrile4426-11-3 3-Methylpyrrole616-43-3 1-Methylpyrrole96-54-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook