1-Cyclopentene-1-acetonitrile

C7H9NCAS 22734-04-9107.16 g/mol

Open in Covalent MOL file
N
AlkeneNitrile

Properties

Molecular formula
C7H9N
Molar mass
107.16 g/mol
Exact mass
107.0735 Da
Density
0.9395 g/mL (at 20.5 °C)
Boiling point
99 °C (at 33 Torr)
logP
2.01Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
22734-04-9
SMILES
N#CCC1=CCCC1
InChIKey
LEWVRAMNXUWSFL-UHFFFAOYSA-N
InChI
InChI=1S/C7H9N/c8-6-5-7-3-1-2-4-7/h3H,1-2,4-5H2

Weigh it out

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

Names and synonyms

5 names
  • (1-Cyclopenten-1-yl)acetonitrile
  • 1-Cyclopentenylacetonitrile
  • 1-(Cyanomethyl)cyclopentene
  • 2-(Cyclopent-1-en-1-yl)acetonitrile
  • Cyclopent-1-ene-1-acetonitrile

Work with 1-Cyclopentene-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

Similar compounds

1-Cyclohexene-1-acetonitrile6975-71-986 % similar 1-Cyclohexene-1-carbonitrile1855-63-638 % similar 1-Cyclohexene-1-ethanamine3399-73-338 % similar 2-Methyleneglutaronitrile1572-52-733 % similar 1-Cyclohexene-1-acetic acid18294-87-633 % similar 1-Methylcyclopentene693-89-033 % similar β-Oxo-1-pyrrolidinepropanenitrile14227-95-331 % similar β-Oxocyclopentanepropanenitrile95882-33-031 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Cyclohexene-1-carbonitrile100-45-8 Benzylamine100-46-9 N-Methylaniline100-61-8 2-Ethylpyridine100-71-0 4-Methylaniline106-49-0 M-Toluidine108-44-1 2,4-Lutidine108-47-4 2,6-Lutidine108-48-5

Elsewhere

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