chempirical

1-Phenylcyclopentanecarbonitrile

C12H13NCAS 77-57-6171.24 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C12H13N
Molar mass
171.24 g/mol
Exact mass
171.1048 Da
Boiling point
145–160 °C (at NaN Torr)
logP
3.02Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
77-57-6
SMILES
N#CC1(c2ccccc2)CCCC1
InChIKey
GDXMFFGTPGAGGX-UHFFFAOYSA-N
InChI
InChI=1S/C12H13N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2

Weigh it out

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

Names and synonyms

5 names
  • Cyclopentanecarbonitrile, 1-phenyl-
  • 1-Phenylcyclopentanenitrile
  • 1-Cyano-1-phenylcyclopentane
  • NSC 18928
  • 1-Phenylcyclopentane-1-carbonitrile

Work with 1-Phenylcyclopentanecarbonitrile

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-Phenylcyclopropanecarbonitrile935-44-483 % similar 4-Oxo-1-phenylcyclohexanecarbonitrile25115-74-661 % similar 4-Cyano-4-phenylpiperidine hydrochloride51304-58-661 % similar 1-(4-Chlorophenyl)cyclobutanecarbonitrile28049-61-860 % similar 1-(4-Bromophenyl)cyclopropanecarbonitrile124276-67-153 % similar 1-Benzyl-4-cyano-4-phenylpiperidine hydrochloride71258-18-953 % similar 4-Bromo-2,2-diphenylbutyronitrile39186-58-847 % similar α-Methyl-α-phenylbenzeneacetonitrile5558-67-845 % similar

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

Same formula

(-)-1-(1-Naphthyl)ethylamine10420-89-0 N-Ethyl-1-naphthalenamine118-44-5 6-Isopropylquinoline135-79-5 Rasagiline136236-51-6 N-Methyl-1-naphthalenemethanamine14489-75-9 N,N-Dimethyl-2-naphthalenamine2436-85-3 (-)-1-(2-Naphthyl)ethylamine3082-62-0 (+)-1-(1-Naphthyl)ethylamine3886-70-2

Elsewhere

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