1-[2-(oxolan-2-yl)ethyl]imidazole-4,5-dicarbonitrile

C11H12N4O — CID 112595734

IUPAC1-[2-(oxolan-2-yl)ethyl]imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(CCC2CCCO2)c1C#N
InChIInChI=1S/C11H12N4O/c12-6-10-11(7-13)15(8-14-10)4-3-9-2-1-5-16-9/h8-9H,1-5H2
InChIKeyWKOSEMBJPYTAMP-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.20
Rot. Bonds3

About 1-[2-(oxolan-2-yl)ethyl]imidazole-4,5-dicarbonitrile

1-[2-(oxolan-2-yl)ethyl]imidazole-4,5-dicarbonitrile (PubChem CID 112595734) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)ethyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)ethyl]imidazole-4,5-dicarbonitrile
PubChem CID112595734
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name1-[2-(oxolan-2-yl)ethyl]imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(CCC2CCCO2)c1C#N
InChIInChI=1S/C11H12N4O/c12-6-10-11(7-13)15(8-14-10)4-3-9-2-1-5-16-9/h8-9H,1-5H2
InChIKeyWKOSEMBJPYTAMP-UHFFFAOYSA-N
XLogP1.20
TPSA74.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-yl)ethyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-[2-(oxolan-2-yl)ethyl]imidazole-4,5-dicarbonitrile (CID 112595734) is 1-[2-(oxolan-2-yl)ethyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-[2-(oxolan-2-yl)ethyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-[2-(oxolan-2-yl)ethyl]imidazole-4,5-dicarbonitrile is N#Cc1ncn(CCC2CCCO2)c1C#N.
What is the InChIKey of 1-[2-(oxolan-2-yl)ethyl]imidazole-4,5-dicarbonitrile?
The InChIKey is WKOSEMBJPYTAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-6-10-11(7-13)15(8-14-10)4-3-9-2-1-5-16-9/h8-9H,1-5H2.
What are the key properties of 1-[2-(oxolan-2-yl)ethyl]imidazole-4,5-dicarbonitrile?
1-[2-(oxolan-2-yl)ethyl]imidazole-4,5-dicarbonitrile has a molecular weight of 216.24 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)ethyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).