1-Cyclohexene-1-acetonitrile

C₈H₁₁NCAS 6975-71-9121.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₁N
Molar mass: 121.18 g/mol
Exact mass: 121.0891 Da
Density: 0.9473 g/mL (at 21.1 °C)
Melting point: 225–227 °C
Boiling point: 112 °C (at 27 Torr)
logP: 2.40Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

6975-71-9

SMILES

N#CCC1=CCCCC1

InChIKey

OYEXEQFKIPJKJK-UHFFFAOYSA-N

InChI

InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-6H2

Weigh it out

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

Names and synonyms

5 names

1-Cyclohexen-1-ylacetonitrile
2-(1-Cyclohexenyl)acetonitrile
1-Cyclohexenylacetonitrile
NSC 21642
2-(Cyclohex-1-en-1-yl)acetonitrile

Work with 1-Cyclohexene-1-acetonitrile

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

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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