3,5-diethylcyclopentane-1,2-dicarbonitrile

C11H16N2 — CID 170203759

IUPAC3,5-diethylcyclopentane-1,2-dicarbonitrile
SMILESCCC1CC(CC)C(C#N)C1C#N
InChIInChI=1S/C11H16N2/c1-3-8-5-9(4-2)11(7-13)10(8)6-12/h8-11H,3-5H2,1-2H3
InChIKeyLQNUWFOHRWSSQY-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.72
Rot. Bonds2

About 3,5-diethylcyclopentane-1,2-dicarbonitrile

3,5-diethylcyclopentane-1,2-dicarbonitrile (PubChem CID 170203759) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3,5-diethylcyclopentane-1,2-dicarbonitrile.

Molecular Properties

Compound Name3,5-diethylcyclopentane-1,2-dicarbonitrile
PubChem CID170203759
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3,5-diethylcyclopentane-1,2-dicarbonitrile
SMILESCCC1CC(CC)C(C#N)C1C#N
InChIInChI=1S/C11H16N2/c1-3-8-5-9(4-2)11(7-13)10(8)6-12/h8-11H,3-5H2,1-2H3
InChIKeyLQNUWFOHRWSSQY-UHFFFAOYSA-N
XLogP2.72
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethylcyclopentane-1,2-dicarbonitrile?
The IUPAC name of 3,5-diethylcyclopentane-1,2-dicarbonitrile (CID 170203759) is 3,5-diethylcyclopentane-1,2-dicarbonitrile.
What is the SMILES notation for 3,5-diethylcyclopentane-1,2-dicarbonitrile?
The canonical SMILES for 3,5-diethylcyclopentane-1,2-dicarbonitrile is CCC1CC(CC)C(C#N)C1C#N.
What is the InChIKey of 3,5-diethylcyclopentane-1,2-dicarbonitrile?
The InChIKey is LQNUWFOHRWSSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-3-8-5-9(4-2)11(7-13)10(8)6-12/h8-11H,3-5H2,1-2H3.
What are the key properties of 3,5-diethylcyclopentane-1,2-dicarbonitrile?
3,5-diethylcyclopentane-1,2-dicarbonitrile has a molecular weight of 176.26 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethylcyclopentane-1,2-dicarbonitrile is sourced from PubChem (CID 170203759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).