1-(2,6-dichlorophenyl)cyclopentane-1-carbonitrile

C12H11Cl2N — CID 28937665

IUPAC1-(2,6-dichlorophenyl)cyclopentane-1-carbonitrile
SMILESN#CC1(c2c(Cl)cccc2Cl)CCCC1
InChIInChI=1S/C12H11Cl2N/c13-9-4-3-5-10(14)11(9)12(8-15)6-1-2-7-12/h3-5H,1-2,6-7H2
InChIKeyXVNLTKNIZUMKNH-UHFFFAOYSA-N
MW240.13 g/mol
LogP4.33
Rot. Bonds1

About 1-(2,6-dichlorophenyl)cyclopentane-1-carbonitrile

1-(2,6-dichlorophenyl)cyclopentane-1-carbonitrile (PubChem CID 28937665) has the molecular formula C12H11Cl2N and a molecular weight of 240.13 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)cyclopentane-1-carbonitrile
PubChem CID28937665
Molecular FormulaC12H11Cl2N
Molecular Weight240.13 g/mol
Exact Mass239.03
IUPAC Name1-(2,6-dichlorophenyl)cyclopentane-1-carbonitrile
SMILESN#CC1(c2c(Cl)cccc2Cl)CCCC1
InChIInChI=1S/C12H11Cl2N/c13-9-4-3-5-10(14)11(9)12(8-15)6-1-2-7-12/h3-5H,1-2,6-7H2
InChIKeyXVNLTKNIZUMKNH-UHFFFAOYSA-N
XLogP4.33
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,6-dichlorophenyl)-1-methylpiperidine-4-carbonitrile
CID 110431320
1-(2-chloro-6-methylphenyl)cyclopropane-1-carbonitrile;ethane
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1-(2,6-dichlorophenyl)-3-phenylcyclobutane-1-carbonitrile
CID 65017106
1-(2,3-difluorophenyl)cyclopentane-1-carbonitrile
CID 83412405
2-chloro-6-(1-cyanocyclopropyl)benzoic acid
CID 129080548
1-(5-chloro-2-pyridinyl)cyclopentane-1-carbonitrile
CID 130544132
2-(1-cyanocyclopentyl)benzonitrile
CID 117047164
1-(2-fluoro-6-methoxyphenyl)cyclohexane-1-carbonitrile
CID 158197915
1-[(2-chloro-6-fluorophenyl)methyl]cyclopentane-1-carbonitrile
CID 65377639
1-(2-chloro-6-methoxy-3-methylphenyl)cyclobutane-1-carbonitrile
CID 84797824
1-[(2,3-dichlorophenyl)-hydroxymethyl]cyclooctane-1-carbonitrile
CID 80603678
1-(2-fluoro-3,6-dimethylphenyl)cyclobutane-1-carbonitrile
CID 84777391

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(2,6-dichlorophenyl)cyclopentane-1-carbonitrile (CID 28937665) is 1-(2,6-dichlorophenyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(2,6-dichlorophenyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(2,6-dichlorophenyl)cyclopentane-1-carbonitrile is N#CC1(c2c(Cl)cccc2Cl)CCCC1.
What is the InChIKey of 1-(2,6-dichlorophenyl)cyclopentane-1-carbonitrile?
The InChIKey is XVNLTKNIZUMKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N/c13-9-4-3-5-10(14)11(9)12(8-15)6-1-2-7-12/h3-5H,1-2,6-7H2.
What are the key properties of 1-(2,6-dichlorophenyl)cyclopentane-1-carbonitrile?
1-(2,6-dichlorophenyl)cyclopentane-1-carbonitrile has a molecular weight of 240.13 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 28937665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).