2-cyclopentyl-6-methylbenzonitrile

C13H15N — CID 10559437

IUPAC2-cyclopentyl-6-methylbenzonitrile
SMILESCc1cccc(C2CCCC2)c1C#N
InChIInChI=1S/C13H15N/c1-10-5-4-8-12(13(10)9-14)11-6-2-3-7-11/h4-5,8,11H,2-3,6-7H2,1H3
InChIKeyGPLDEGCZJMQUSS-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.52
Rot. Bonds1

About 2-cyclopentyl-6-methylbenzonitrile

2-cyclopentyl-6-methylbenzonitrile (PubChem CID 10559437) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-cyclopentyl-6-methylbenzonitrile.

Molecular Properties

Compound Name2-cyclopentyl-6-methylbenzonitrile
PubChem CID10559437
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name2-cyclopentyl-6-methylbenzonitrile
SMILESCc1cccc(C2CCCC2)c1C#N
InChIInChI=1S/C13H15N/c1-10-5-4-8-12(13(10)9-14)11-6-2-3-7-11/h4-5,8,11H,2-3,6-7H2,1H3
InChIKeyGPLDEGCZJMQUSS-UHFFFAOYSA-N
XLogP3.52
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-methylbenzonitrile?
The IUPAC name of 2-cyclopentyl-6-methylbenzonitrile (CID 10559437) is 2-cyclopentyl-6-methylbenzonitrile.
What is the SMILES notation for 2-cyclopentyl-6-methylbenzonitrile?
The canonical SMILES for 2-cyclopentyl-6-methylbenzonitrile is Cc1cccc(C2CCCC2)c1C#N.
What is the InChIKey of 2-cyclopentyl-6-methylbenzonitrile?
The InChIKey is GPLDEGCZJMQUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-10-5-4-8-12(13(10)9-14)11-6-2-3-7-11/h4-5,8,11H,2-3,6-7H2,1H3.
What are the key properties of 2-cyclopentyl-6-methylbenzonitrile?
2-cyclopentyl-6-methylbenzonitrile has a molecular weight of 185.27 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-methylbenzonitrile is sourced from PubChem (CID 10559437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).