2-[1-(2-cyanocyclopentyl)ethyl]cyclopentane-1-carbonitrile

C14H20N2 — CID 68839598

IUPAC2-[1-(2-cyanocyclopentyl)ethyl]cyclopentane-1-carbonitrile
SMILESCC(C1CCCC1C#N)C1CCCC1C#N
InChIInChI=1S/C14H20N2/c1-10(13-6-2-4-11(13)8-15)14-7-3-5-12(14)9-16/h10-14H,2-7H2,1H3
InChIKeyKVEDJRZYUXLQLC-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.50
Rot. Bonds2

About 2-[1-(2-cyanocyclopentyl)ethyl]cyclopentane-1-carbonitrile

2-[1-(2-cyanocyclopentyl)ethyl]cyclopentane-1-carbonitrile (PubChem CID 68839598) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-[1-(2-cyanocyclopentyl)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[1-(2-cyanocyclopentyl)ethyl]cyclopentane-1-carbonitrile
PubChem CID68839598
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-[1-(2-cyanocyclopentyl)ethyl]cyclopentane-1-carbonitrile
SMILESCC(C1CCCC1C#N)C1CCCC1C#N
InChIInChI=1S/C14H20N2/c1-10(13-6-2-4-11(13)8-15)14-7-3-5-12(14)9-16/h10-14H,2-7H2,1H3
InChIKeyKVEDJRZYUXLQLC-UHFFFAOYSA-N
XLogP3.50
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyanocyclopentyl)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[1-(2-cyanocyclopentyl)ethyl]cyclopentane-1-carbonitrile (CID 68839598) is 2-[1-(2-cyanocyclopentyl)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[1-(2-cyanocyclopentyl)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[1-(2-cyanocyclopentyl)ethyl]cyclopentane-1-carbonitrile is CC(C1CCCC1C#N)C1CCCC1C#N.
What is the InChIKey of 2-[1-(2-cyanocyclopentyl)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is KVEDJRZYUXLQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10(13-6-2-4-11(13)8-15)14-7-3-5-12(14)9-16/h10-14H,2-7H2,1H3.
What are the key properties of 2-[1-(2-cyanocyclopentyl)ethyl]cyclopentane-1-carbonitrile?
2-[1-(2-cyanocyclopentyl)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 216.33 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyanocyclopentyl)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 68839598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).