3-(2-cyanocyclopentyl)oxybenzonitrile

C13H12N2O — CID 43292493

IUPAC3-(2-cyanocyclopentyl)oxybenzonitrile
SMILESN#Cc1cccc(OC2CCCC2C#N)c1
InChIInChI=1S/C13H12N2O/c14-8-10-3-1-5-12(7-10)16-13-6-2-4-11(13)9-15/h1,3,5,7,11,13H,2,4,6H2
InChIKeySLMNCJBNLYZIBU-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.63
Rot. Bonds2

About 3-(2-cyanocyclopentyl)oxybenzonitrile

3-(2-cyanocyclopentyl)oxybenzonitrile (PubChem CID 43292493) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(2-cyanocyclopentyl)oxybenzonitrile.

Molecular Properties

Compound Name3-(2-cyanocyclopentyl)oxybenzonitrile
PubChem CID43292493
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name3-(2-cyanocyclopentyl)oxybenzonitrile
SMILESN#Cc1cccc(OC2CCCC2C#N)c1
InChIInChI=1S/C13H12N2O/c14-8-10-3-1-5-12(7-10)16-13-6-2-4-11(13)9-15/h1,3,5,7,11,13H,2,4,6H2
InChIKeySLMNCJBNLYZIBU-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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Related Compounds

4-(2-cyanocyclopentyl)oxy-3-methoxybenzonitrile
CID 43292183
3-(3-hydroxycyclohexyl)oxybenzonitrile
CID 117052718
2-(2-cyanocyclopentyl)oxybenzonitrile
CID 43292568
3-piperidin-3-yloxybenzonitrile
CID 22309128
2-(3,5-dimethoxyphenoxy)cyclohexane-1-carbonitrile
CID 43589877
3-(4-hydroxypyrrolidin-3-yl)oxybenzonitrile
CID 63705014
3-[(3R,4R)-3-fluoropiperidin-4-yl]oxybenzonitrile
CID 129278036
2-(4-chloro-3-methylphenoxy)cycloheptane-1-carbonitrile
CID 43292618
3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile
CID 102817746
2-(2-bromophenoxy)cyclopentane-1-carbonitrile
CID 43292592
3-[(3-cyclopropyloxyphenyl)-hydroxymethyl]benzonitrile
CID 114520992
3-[2-(cyclohexylmethoxy)ethoxy]benzonitrile
CID 62381700

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanocyclopentyl)oxybenzonitrile?
The IUPAC name of 3-(2-cyanocyclopentyl)oxybenzonitrile (CID 43292493) is 3-(2-cyanocyclopentyl)oxybenzonitrile.
What is the SMILES notation for 3-(2-cyanocyclopentyl)oxybenzonitrile?
The canonical SMILES for 3-(2-cyanocyclopentyl)oxybenzonitrile is N#Cc1cccc(OC2CCCC2C#N)c1.
What is the InChIKey of 3-(2-cyanocyclopentyl)oxybenzonitrile?
The InChIKey is SLMNCJBNLYZIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c14-8-10-3-1-5-12(7-10)16-13-6-2-4-11(13)9-15/h1,3,5,7,11,13H,2,4,6H2.
What are the key properties of 3-(2-cyanocyclopentyl)oxybenzonitrile?
3-(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 3-(2-cyanocyclopentyl)oxybenzonitrile is sourced from PubChem (CID 43292493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).