2-[1-(3-ethyl-2-methylphenyl)cyclopentyl]acetonitrile

C16H21N — CID 130430295

IUPAC2-[1-(3-ethyl-2-methylphenyl)cyclopentyl]acetonitrile
SMILESCCc1cccc(C2(CC#N)CCCC2)c1C
InChIInChI=1S/C16H21N/c1-3-14-7-6-8-15(13(14)2)16(11-12-17)9-4-5-10-16/h6-8H,3-5,9-11H2,1-2H3
InChIKeyPAXDRTAQTMHDCG-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.28
Rot. Bonds3

About 2-[1-(3-ethyl-2-methylphenyl)cyclopentyl]acetonitrile

2-[1-(3-ethyl-2-methylphenyl)cyclopentyl]acetonitrile (PubChem CID 130430295) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[1-(3-ethyl-2-methylphenyl)cyclopentyl]acetonitrile.

Molecular Properties

Compound Name2-[1-(3-ethyl-2-methylphenyl)cyclopentyl]acetonitrile
PubChem CID130430295
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name2-[1-(3-ethyl-2-methylphenyl)cyclopentyl]acetonitrile
SMILESCCc1cccc(C2(CC#N)CCCC2)c1C
InChIInChI=1S/C16H21N/c1-3-14-7-6-8-15(13(14)2)16(11-12-17)9-4-5-10-16/h6-8H,3-5,9-11H2,1-2H3
InChIKeyPAXDRTAQTMHDCG-UHFFFAOYSA-N
XLogP4.28
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(4-methylphenyl)cyclopentyl]acetonitrile
CID 90274586
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CID 117313437
2-[1-(1-methylindol-3-yl)cyclopentyl]acetonitrile
CID 10752435
[1-(2,6-diethylphenyl)cyclohexyl]methanamine
CID 117366409
1-ethyl-2-[1-(isothiocyanatomethyl)cyclohexyl]benzene
CID 23348524
1-ethyl-2-(1-methylcyclopropyl)benzene
CID 159457971
2-[1-[[(2-ethylphenyl)methylamino]methyl]cyclopropyl]acetonitrile
CID 65497124
2-[1-(2,3-dimethylphenyl)cyclopentyl]acetic acid
CID 82289741
2-[1-(3-bromo-5-methylphenyl)cyclopentyl]acetonitrile
CID 129285142
1-(2-ethylphenyl)cyclohexane-1-carboxamide
CID 70002174
1-ethyl-2-(1-phenylcyclohexyl)benzene
CID 173103892

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethyl-2-methylphenyl)cyclopentyl]acetonitrile?
The IUPAC name of 2-[1-(3-ethyl-2-methylphenyl)cyclopentyl]acetonitrile (CID 130430295) is 2-[1-(3-ethyl-2-methylphenyl)cyclopentyl]acetonitrile.
What is the SMILES notation for 2-[1-(3-ethyl-2-methylphenyl)cyclopentyl]acetonitrile?
The canonical SMILES for 2-[1-(3-ethyl-2-methylphenyl)cyclopentyl]acetonitrile is CCc1cccc(C2(CC#N)CCCC2)c1C.
What is the InChIKey of 2-[1-(3-ethyl-2-methylphenyl)cyclopentyl]acetonitrile?
The InChIKey is PAXDRTAQTMHDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-3-14-7-6-8-15(13(14)2)16(11-12-17)9-4-5-10-16/h6-8H,3-5,9-11H2,1-2H3.
What are the key properties of 2-[1-(3-ethyl-2-methylphenyl)cyclopentyl]acetonitrile?
2-[1-(3-ethyl-2-methylphenyl)cyclopentyl]acetonitrile has a molecular weight of 227.35 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethyl-2-methylphenyl)cyclopentyl]acetonitrile is sourced from PubChem (CID 130430295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).