3-(4-cyclopentyloxyphenyl)propanenitrile

C14H17NO — CID 82471335

IUPAC3-(4-cyclopentyloxyphenyl)propanenitrile
SMILESN#CCCc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C14H17NO/c15-11-3-4-12-7-9-14(10-8-12)16-13-5-1-2-6-13/h7-10,13H,1-6H2
InChIKeyVYJNBHUBMGECJO-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.46
Rot. Bonds4

About 3-(4-cyclopentyloxyphenyl)propanenitrile

3-(4-cyclopentyloxyphenyl)propanenitrile (PubChem CID 82471335) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(4-cyclopentyloxyphenyl)propanenitrile.

Molecular Properties

Compound Name3-(4-cyclopentyloxyphenyl)propanenitrile
PubChem CID82471335
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-(4-cyclopentyloxyphenyl)propanenitrile
SMILESN#CCCc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C14H17NO/c15-11-3-4-12-7-9-14(10-8-12)16-13-5-1-2-6-13/h7-10,13H,1-6H2
InChIKeyVYJNBHUBMGECJO-UHFFFAOYSA-N
XLogP3.46
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyclopropyloxyphenyl)acetonitrile
CID 84766439
1-cyclobutyloxy-4-propylbenzene
CID 178141621
3-(4-cyclopentyloxyphenyl)-N-methylpropan-1-amine
CID 95449970
3-[4-[7-[4-(2-cyanoethyl)phenoxy]heptoxy]phenyl]propanenitrile
CID 67069748
4-(4-cyclopentyloxyphenyl)butan-2-amine
CID 16782847
N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine
CID 39248013
N-[(4-cyclopentyloxyphenyl)methyl]cyclopentanamine
CID 39360486
4-(4-cyclohexyloxyphenyl)-N-methylbutan-2-amine
CID 43279731
3-(4-cyclopentyloxyphenyl)propanehydrazide
CID 164513639
(NE)-N-[4-(4-cyclohexyloxyphenyl)butan-2-ylidene]hydroxylamine
CID 43093796
N-[(4-cyclopentyloxyphenyl)methyl]cyclohexanamine
CID 39372881
[4-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol
CID 118229827

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyloxyphenyl)propanenitrile?
The IUPAC name of 3-(4-cyclopentyloxyphenyl)propanenitrile (CID 82471335) is 3-(4-cyclopentyloxyphenyl)propanenitrile.
What is the SMILES notation for 3-(4-cyclopentyloxyphenyl)propanenitrile?
The canonical SMILES for 3-(4-cyclopentyloxyphenyl)propanenitrile is N#CCCc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 3-(4-cyclopentyloxyphenyl)propanenitrile?
The InChIKey is VYJNBHUBMGECJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c15-11-3-4-12-7-9-14(10-8-12)16-13-5-1-2-6-13/h7-10,13H,1-6H2.
What are the key properties of 3-(4-cyclopentyloxyphenyl)propanenitrile?
3-(4-cyclopentyloxyphenyl)propanenitrile has a molecular weight of 215.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyloxyphenyl)propanenitrile is sourced from PubChem (CID 82471335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).