2-(2-ethoxycyclopentyl)butanedinitrile

C11H16N2O — CID 13003541

IUPAC2-(2-ethoxycyclopentyl)butanedinitrile
SMILESCCOC1CCCC1C(C#N)CC#N
InChIInChI=1S/C11H16N2O/c1-2-14-11-5-3-4-10(11)9(8-13)6-7-12/h9-11H,2-6H2,1H3
InChIKeySNKTWLFJMUYBKF-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.25
Rot. Bonds4

About 2-(2-ethoxycyclopentyl)butanedinitrile

2-(2-ethoxycyclopentyl)butanedinitrile (PubChem CID 13003541) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(2-ethoxycyclopentyl)butanedinitrile.

Molecular Properties

Compound Name2-(2-ethoxycyclopentyl)butanedinitrile
PubChem CID13003541
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(2-ethoxycyclopentyl)butanedinitrile
SMILESCCOC1CCCC1C(C#N)CC#N
InChIInChI=1S/C11H16N2O/c1-2-14-11-5-3-4-10(11)9(8-13)6-7-12/h9-11H,2-6H2,1H3
InChIKeySNKTWLFJMUYBKF-UHFFFAOYSA-N
XLogP2.25
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxycyclopentyl)butanedinitrile?
The IUPAC name of 2-(2-ethoxycyclopentyl)butanedinitrile (CID 13003541) is 2-(2-ethoxycyclopentyl)butanedinitrile.
What is the SMILES notation for 2-(2-ethoxycyclopentyl)butanedinitrile?
The canonical SMILES for 2-(2-ethoxycyclopentyl)butanedinitrile is CCOC1CCCC1C(C#N)CC#N.
What is the InChIKey of 2-(2-ethoxycyclopentyl)butanedinitrile?
The InChIKey is SNKTWLFJMUYBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-14-11-5-3-4-10(11)9(8-13)6-7-12/h9-11H,2-6H2,1H3.
What are the key properties of 2-(2-ethoxycyclopentyl)butanedinitrile?
2-(2-ethoxycyclopentyl)butanedinitrile has a molecular weight of 192.26 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxycyclopentyl)butanedinitrile is sourced from PubChem (CID 13003541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).