3-(2-cyclopentylethyl)oxolane-3-carbonitrile

C12H19NO — CID 130479200

IUPAC3-(2-cyclopentylethyl)oxolane-3-carbonitrile
SMILESN#CC1(CCC2CCCC2)CCOC1
InChIInChI=1S/C12H19NO/c13-9-12(7-8-14-10-12)6-5-11-3-1-2-4-11/h11H,1-8,10H2
InChIKeyDALJUQAYDZROPX-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.89
Rot. Bonds3

About 3-(2-cyclopentylethyl)oxolane-3-carbonitrile

3-(2-cyclopentylethyl)oxolane-3-carbonitrile (PubChem CID 130479200) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(2-cyclopentylethyl)oxolane-3-carbonitrile.

Molecular Properties

Compound Name3-(2-cyclopentylethyl)oxolane-3-carbonitrile
PubChem CID130479200
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-(2-cyclopentylethyl)oxolane-3-carbonitrile
SMILESN#CC1(CCC2CCCC2)CCOC1
InChIInChI=1S/C12H19NO/c13-9-12(7-8-14-10-12)6-5-11-3-1-2-4-11/h11H,1-8,10H2
InChIKeyDALJUQAYDZROPX-UHFFFAOYSA-N
XLogP2.89
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentylethyl)oxolane-3-carbonitrile?
The IUPAC name of 3-(2-cyclopentylethyl)oxolane-3-carbonitrile (CID 130479200) is 3-(2-cyclopentylethyl)oxolane-3-carbonitrile.
What is the SMILES notation for 3-(2-cyclopentylethyl)oxolane-3-carbonitrile?
The canonical SMILES for 3-(2-cyclopentylethyl)oxolane-3-carbonitrile is N#CC1(CCC2CCCC2)CCOC1.
What is the InChIKey of 3-(2-cyclopentylethyl)oxolane-3-carbonitrile?
The InChIKey is DALJUQAYDZROPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c13-9-12(7-8-14-10-12)6-5-11-3-1-2-4-11/h11H,1-8,10H2.
What are the key properties of 3-(2-cyclopentylethyl)oxolane-3-carbonitrile?
3-(2-cyclopentylethyl)oxolane-3-carbonitrile has a molecular weight of 193.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentylethyl)oxolane-3-carbonitrile is sourced from PubChem (CID 130479200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).