3-[2-(oxolan-2-yl)ethyl]oxolane-3-carbonitrile

C11H17NO2 — CID 65394599

IUPAC3-[2-(oxolan-2-yl)ethyl]oxolane-3-carbonitrile
SMILESN#CC1(CCC2CCCO2)CCOC1
InChIInChI=1S/C11H17NO2/c12-8-11(5-7-13-9-11)4-3-10-2-1-6-14-10/h10H,1-7,9H2
InChIKeyLDOURPLRCXAUBA-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.88
Rot. Bonds3

About 3-[2-(oxolan-2-yl)ethyl]oxolane-3-carbonitrile

3-[2-(oxolan-2-yl)ethyl]oxolane-3-carbonitrile (PubChem CID 65394599) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-[2-(oxolan-2-yl)ethyl]oxolane-3-carbonitrile.

Molecular Properties

Compound Name3-[2-(oxolan-2-yl)ethyl]oxolane-3-carbonitrile
PubChem CID65394599
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-[2-(oxolan-2-yl)ethyl]oxolane-3-carbonitrile
SMILESN#CC1(CCC2CCCO2)CCOC1
InChIInChI=1S/C11H17NO2/c12-8-11(5-7-13-9-11)4-3-10-2-1-6-14-10/h10H,1-7,9H2
InChIKeyLDOURPLRCXAUBA-UHFFFAOYSA-N
XLogP1.88
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxolan-2-yl)ethyl]oxolane-3-carbonitrile?
The IUPAC name of 3-[2-(oxolan-2-yl)ethyl]oxolane-3-carbonitrile (CID 65394599) is 3-[2-(oxolan-2-yl)ethyl]oxolane-3-carbonitrile.
What is the SMILES notation for 3-[2-(oxolan-2-yl)ethyl]oxolane-3-carbonitrile?
The canonical SMILES for 3-[2-(oxolan-2-yl)ethyl]oxolane-3-carbonitrile is N#CC1(CCC2CCCO2)CCOC1.
What is the InChIKey of 3-[2-(oxolan-2-yl)ethyl]oxolane-3-carbonitrile?
The InChIKey is LDOURPLRCXAUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c12-8-11(5-7-13-9-11)4-3-10-2-1-6-14-10/h10H,1-7,9H2.
What are the key properties of 3-[2-(oxolan-2-yl)ethyl]oxolane-3-carbonitrile?
3-[2-(oxolan-2-yl)ethyl]oxolane-3-carbonitrile has a molecular weight of 195.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxolan-2-yl)ethyl]oxolane-3-carbonitrile is sourced from PubChem (CID 65394599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).