chempirical

(2E)-3-Cyclopentylprop-2-enenitrile

C8H11NCAS 591769-05-0121.18 g/mol

Open in Covalent MOL file
N
AlkeneNitrile

Properties

Molecular formula
C8H11N
Molar mass
121.18 g/mol
Exact mass
121.0891 Da
logP
2.26Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1
Double bonds
EE/Z, in SMILES order

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
591769-05-0
SMILES
C1CCC(C1)/C=C/C#N
InChIKey
VMELXYJYSXXORF-ZZXKWVIFSA-N
InChI
InChI=1S/C8H11N/c9-7-3-6-8-4-1-2-5-8/h3,6,8H,1-2,4-5H2/b6-3+

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Names and synonyms

1 names
  • 3-Cyclopentylacrylonitrile

Work with (2E)-3-Cyclopentylprop-2-enenitrile

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

(2E)-2-Butenedinitrile764-42-140 % similar 2-Butenenitrile4786-20-333 % similar Cyclopentanecarbonitrile4254-02-832 % similar Cyclopentanecarboxaldehyde872-53-732 % similar Cyclohexanecarboxaldehyde2043-61-031 % similar Cyclooctanecarbaldehyde6688-11-531 % similar Vinylcyclohexane695-12-531 % similar Cyclohexanecarbonitrile766-05-231 % similar

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

Same formula

3-Methylbenzylamine100-81-2 N-Methylbenzylamine103-67-3 N-Ethylaniline103-69-5 4-Methylbenzylamine104-84-7 5-Ethyl-2-methylpyridine104-90-5 3,5-Xylidine108-69-0 2,4,6-Trimethylpyridine108-75-8 4-Propylpyridine1122-81-2

Elsewhere

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