4-[2-(oxolan-2-yl)ethyl]oxane-4-carbonitrile

C12H19NO2 — CID 65394589

IUPAC4-[2-(oxolan-2-yl)ethyl]oxane-4-carbonitrile
SMILESN#CC1(CCC2CCCO2)CCOCC1
InChIInChI=1S/C12H19NO2/c13-10-12(5-8-14-9-6-12)4-3-11-2-1-7-15-11/h11H,1-9H2
InChIKeyDEYGOPRPNVOKAW-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.27
Rot. Bonds3

About 4-[2-(oxolan-2-yl)ethyl]oxane-4-carbonitrile

4-[2-(oxolan-2-yl)ethyl]oxane-4-carbonitrile (PubChem CID 65394589) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[2-(oxolan-2-yl)ethyl]oxane-4-carbonitrile.

Molecular Properties

Compound Name4-[2-(oxolan-2-yl)ethyl]oxane-4-carbonitrile
PubChem CID65394589
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-[2-(oxolan-2-yl)ethyl]oxane-4-carbonitrile
SMILESN#CC1(CCC2CCCO2)CCOCC1
InChIInChI=1S/C12H19NO2/c13-10-12(5-8-14-9-6-12)4-3-11-2-1-7-15-11/h11H,1-9H2
InChIKeyDEYGOPRPNVOKAW-UHFFFAOYSA-N
XLogP2.27
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxolan-2-yl)ethyl]oxane-4-carbonitrile?
The IUPAC name of 4-[2-(oxolan-2-yl)ethyl]oxane-4-carbonitrile (CID 65394589) is 4-[2-(oxolan-2-yl)ethyl]oxane-4-carbonitrile.
What is the SMILES notation for 4-[2-(oxolan-2-yl)ethyl]oxane-4-carbonitrile?
The canonical SMILES for 4-[2-(oxolan-2-yl)ethyl]oxane-4-carbonitrile is N#CC1(CCC2CCCO2)CCOCC1.
What is the InChIKey of 4-[2-(oxolan-2-yl)ethyl]oxane-4-carbonitrile?
The InChIKey is DEYGOPRPNVOKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c13-10-12(5-8-14-9-6-12)4-3-11-2-1-7-15-11/h11H,1-9H2.
What are the key properties of 4-[2-(oxolan-2-yl)ethyl]oxane-4-carbonitrile?
4-[2-(oxolan-2-yl)ethyl]oxane-4-carbonitrile has a molecular weight of 209.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxolan-2-yl)ethyl]oxane-4-carbonitrile is sourced from PubChem (CID 65394589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).