1-(oxolan-3-ylmethyl)imidazole

C8H12N2O — CID 60964531

IUPAC1-(oxolan-3-ylmethyl)imidazole
SMILESc1cn(CC2CCOC2)cn1
InChIInChI=1S/C8H12N2O/c1-4-11-6-8(1)5-10-3-2-9-7-10/h2-3,7-8H,1,4-6H2
InChIKeyKVKKBNYHDZXQJS-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.92
Rot. Bonds2

About 1-(oxolan-3-ylmethyl)imidazole

1-(oxolan-3-ylmethyl)imidazole (PubChem CID 60964531) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(oxolan-3-ylmethyl)imidazole.

Molecular Properties

Compound Name1-(oxolan-3-ylmethyl)imidazole
PubChem CID60964531
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(oxolan-3-ylmethyl)imidazole
SMILESc1cn(CC2CCOC2)cn1
InChIInChI=1S/C8H12N2O/c1-4-11-6-8(1)5-10-3-2-9-7-10/h2-3,7-8H,1,4-6H2
InChIKeyKVKKBNYHDZXQJS-UHFFFAOYSA-N
XLogP0.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(oxolan-3-ylmethyl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-ylmethyl)imidazole?
The IUPAC name of 1-(oxolan-3-ylmethyl)imidazole (CID 60964531) is 1-(oxolan-3-ylmethyl)imidazole.
What is the SMILES notation for 1-(oxolan-3-ylmethyl)imidazole?
The canonical SMILES for 1-(oxolan-3-ylmethyl)imidazole is c1cn(CC2CCOC2)cn1.
What is the InChIKey of 1-(oxolan-3-ylmethyl)imidazole?
The InChIKey is KVKKBNYHDZXQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-4-11-6-8(1)5-10-3-2-9-7-10/h2-3,7-8H,1,4-6H2.
What are the key properties of 1-(oxolan-3-ylmethyl)imidazole?
1-(oxolan-3-ylmethyl)imidazole has a molecular weight of 152.20 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-ylmethyl)imidazole is sourced from PubChem (CID 60964531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).