1-cyclopentylcyclopentane-1-carbonitrile

C11H17N — CID 130513545

IUPAC1-cyclopentylcyclopentane-1-carbonitrile
SMILESN#CC1(C2CCCC2)CCCC1
InChIInChI=1S/C11H17N/c12-9-11(7-3-4-8-11)10-5-1-2-6-10/h10H,1-8H2
InChIKeyIZRIJPXNZAKJSW-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.26
Rot. Bonds1

About 1-cyclopentylcyclopentane-1-carbonitrile

1-cyclopentylcyclopentane-1-carbonitrile (PubChem CID 130513545) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-cyclopentylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-cyclopentylcyclopentane-1-carbonitrile
PubChem CID130513545
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-cyclopentylcyclopentane-1-carbonitrile
SMILESN#CC1(C2CCCC2)CCCC1
InChIInChI=1S/C11H17N/c12-9-11(7-3-4-8-11)10-5-1-2-6-10/h10H,1-8H2
InChIKeyIZRIJPXNZAKJSW-UHFFFAOYSA-N
XLogP3.26
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylcyclopentane-1-carbonitrile?
The IUPAC name of 1-cyclopentylcyclopentane-1-carbonitrile (CID 130513545) is 1-cyclopentylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-cyclopentylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-cyclopentylcyclopentane-1-carbonitrile is N#CC1(C2CCCC2)CCCC1.
What is the InChIKey of 1-cyclopentylcyclopentane-1-carbonitrile?
The InChIKey is IZRIJPXNZAKJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c12-9-11(7-3-4-8-11)10-5-1-2-6-10/h10H,1-8H2.
What are the key properties of 1-cyclopentylcyclopentane-1-carbonitrile?
1-cyclopentylcyclopentane-1-carbonitrile has a molecular weight of 163.26 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylcyclopentane-1-carbonitrile is sourced from PubChem (CID 130513545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).