1-(1-cyanocyclopentyl)cyclopentane-1-carbonitrile

C12H16N2 — CID 86058459

IUPAC1-(1-cyanocyclopentyl)cyclopentane-1-carbonitrile
SMILESN#CC1(C2(C#N)CCCC2)CCCC1
InChIInChI=1S/C12H16N2/c13-9-11(5-1-2-6-11)12(10-14)7-3-4-8-12/h1-8H2
InChIKeyQAMRGVZZVTVMII-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.15
Rot. Bonds1

About 1-(1-cyanocyclopentyl)cyclopentane-1-carbonitrile

1-(1-cyanocyclopentyl)cyclopentane-1-carbonitrile (PubChem CID 86058459) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(1-cyanocyclopentyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-cyanocyclopentyl)cyclopentane-1-carbonitrile
PubChem CID86058459
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-(1-cyanocyclopentyl)cyclopentane-1-carbonitrile
SMILESN#CC1(C2(C#N)CCCC2)CCCC1
InChIInChI=1S/C12H16N2/c13-9-11(5-1-2-6-11)12(10-14)7-3-4-8-12/h1-8H2
InChIKeyQAMRGVZZVTVMII-UHFFFAOYSA-N
XLogP3.15
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyanocyclopentyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(1-cyanocyclopentyl)cyclopentane-1-carbonitrile (CID 86058459) is 1-(1-cyanocyclopentyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(1-cyanocyclopentyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(1-cyanocyclopentyl)cyclopentane-1-carbonitrile is N#CC1(C2(C#N)CCCC2)CCCC1.
What is the InChIKey of 1-(1-cyanocyclopentyl)cyclopentane-1-carbonitrile?
The InChIKey is QAMRGVZZVTVMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c13-9-11(5-1-2-6-11)12(10-14)7-3-4-8-12/h1-8H2.
What are the key properties of 1-(1-cyanocyclopentyl)cyclopentane-1-carbonitrile?
1-(1-cyanocyclopentyl)cyclopentane-1-carbonitrile has a molecular weight of 188.27 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyanocyclopentyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 86058459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).