2-cyclopentyl-2-(4-ethylphenyl)acetonitrile

C15H19N — CID 82078345

IUPAC2-cyclopentyl-2-(4-ethylphenyl)acetonitrile
SMILESCCc1ccc(C(C#N)C2CCCC2)cc1
InChIInChI=1S/C15H19N/c1-2-12-7-9-14(10-8-12)15(11-16)13-5-3-4-6-13/h7-10,13,15H,2-6H2,1H3
InChIKeyGXGNZBVYDJGXSD-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.05
Rot. Bonds3

About 2-cyclopentyl-2-(4-ethylphenyl)acetonitrile

2-cyclopentyl-2-(4-ethylphenyl)acetonitrile (PubChem CID 82078345) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-cyclopentyl-2-(4-ethylphenyl)acetonitrile.

Molecular Properties

Compound Name2-cyclopentyl-2-(4-ethylphenyl)acetonitrile
PubChem CID82078345
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name2-cyclopentyl-2-(4-ethylphenyl)acetonitrile
SMILESCCc1ccc(C(C#N)C2CCCC2)cc1
InChIInChI=1S/C15H19N/c1-2-12-7-9-14(10-8-12)15(11-16)13-5-3-4-6-13/h7-10,13,15H,2-6H2,1H3
InChIKeyGXGNZBVYDJGXSD-UHFFFAOYSA-N
XLogP4.05
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-cyclohexyl-2-(4-methylphenyl)acetonitrile
CID 51669423
2-(4-chlorophenyl)-2-cyclohexylacetonitrile
CID 12603992
(2S)-2-cyclohexyl-2-phenylacetonitrile
CID 6992167
cyclohexyl-(4-ethylphenyl)methanol
CID 60797623
1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484724
2-cyclopropyl-2-(4-fluorophenyl)acetonitrile
CID 55270127
(S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride
CID 171230830
1-[cyclohexyl(isocyanato)methyl]-4-ethylbenzene
CID 82085183
2-bromo-2-(4-ethylphenyl)acetonitrile
CID 83086096
1-(2-bromo-1-cyclopropylethyl)-4-ethylbenzene
CID 82088100
N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine
CID 43496590
[2-bromo-2-(4-ethylphenyl)ethyl]cycloheptane
CID 114458721

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(4-ethylphenyl)acetonitrile?
The IUPAC name of 2-cyclopentyl-2-(4-ethylphenyl)acetonitrile (CID 82078345) is 2-cyclopentyl-2-(4-ethylphenyl)acetonitrile.
What is the SMILES notation for 2-cyclopentyl-2-(4-ethylphenyl)acetonitrile?
The canonical SMILES for 2-cyclopentyl-2-(4-ethylphenyl)acetonitrile is CCc1ccc(C(C#N)C2CCCC2)cc1.
What is the InChIKey of 2-cyclopentyl-2-(4-ethylphenyl)acetonitrile?
The InChIKey is GXGNZBVYDJGXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-2-12-7-9-14(10-8-12)15(11-16)13-5-3-4-6-13/h7-10,13,15H,2-6H2,1H3.
What are the key properties of 2-cyclopentyl-2-(4-ethylphenyl)acetonitrile?
2-cyclopentyl-2-(4-ethylphenyl)acetonitrile has a molecular weight of 213.32 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(4-ethylphenyl)acetonitrile is sourced from PubChem (CID 82078345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).