2-(2-cyanocyclopentyl)oxybenzonitrile

C13H12N2O — CID 43292568

IUPAC2-(2-cyanocyclopentyl)oxybenzonitrile
SMILESN#Cc1ccccc1OC1CCCC1C#N
InChIInChI=1S/C13H12N2O/c14-8-10-4-1-2-6-12(10)16-13-7-3-5-11(13)9-15/h1-2,4,6,11,13H,3,5,7H2
InChIKeyGPAINDQXMAGBHE-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.63
Rot. Bonds2

About 2-(2-cyanocyclopentyl)oxybenzonitrile

2-(2-cyanocyclopentyl)oxybenzonitrile (PubChem CID 43292568) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(2-cyanocyclopentyl)oxybenzonitrile.

Molecular Properties

Compound Name2-(2-cyanocyclopentyl)oxybenzonitrile
PubChem CID43292568
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name2-(2-cyanocyclopentyl)oxybenzonitrile
SMILESN#Cc1ccccc1OC1CCCC1C#N
InChIInChI=1S/C13H12N2O/c14-8-10-4-1-2-6-12(10)16-13-7-3-5-11(13)9-15/h1-2,4,6,11,13H,3,5,7H2
InChIKeyGPAINDQXMAGBHE-UHFFFAOYSA-N
XLogP2.63
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanocyclopentyl)oxybenzonitrile?
The IUPAC name of 2-(2-cyanocyclopentyl)oxybenzonitrile (CID 43292568) is 2-(2-cyanocyclopentyl)oxybenzonitrile.
What is the SMILES notation for 2-(2-cyanocyclopentyl)oxybenzonitrile?
The canonical SMILES for 2-(2-cyanocyclopentyl)oxybenzonitrile is N#Cc1ccccc1OC1CCCC1C#N.
What is the InChIKey of 2-(2-cyanocyclopentyl)oxybenzonitrile?
The InChIKey is GPAINDQXMAGBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c14-8-10-4-1-2-6-12(10)16-13-7-3-5-11(13)9-15/h1-2,4,6,11,13H,3,5,7H2.
What are the key properties of 2-(2-cyanocyclopentyl)oxybenzonitrile?
2-(2-cyanocyclopentyl)oxybenzonitrile has a molecular weight of 212.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanocyclopentyl)oxybenzonitrile is sourced from PubChem (CID 43292568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).