1-(oxolan-3-yl)imidazole

C7H10N2O — CID 63810500

IUPAC1-(oxolan-3-yl)imidazole
SMILESc1cn(C2CCOC2)cn1
InChIInChI=1S/C7H10N2O/c1-4-10-5-7(1)9-3-2-8-6-9/h2-3,6-7H,1,4-5H2
InChIKeyFXLDYFJKUDSHIO-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.84
Rot. Bonds1

About 1-(oxolan-3-yl)imidazole

1-(oxolan-3-yl)imidazole (PubChem CID 63810500) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(oxolan-3-yl)imidazole.

Molecular Properties

Compound Name1-(oxolan-3-yl)imidazole
PubChem CID63810500
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name1-(oxolan-3-yl)imidazole
SMILESc1cn(C2CCOC2)cn1
InChIInChI=1S/C7H10N2O/c1-4-10-5-7(1)9-3-2-8-6-9/h2-3,6-7H,1,4-5H2
InChIKeyFXLDYFJKUDSHIO-UHFFFAOYSA-N
XLogP0.84
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)imidazole?
The IUPAC name of 1-(oxolan-3-yl)imidazole (CID 63810500) is 1-(oxolan-3-yl)imidazole.
What is the SMILES notation for 1-(oxolan-3-yl)imidazole?
The canonical SMILES for 1-(oxolan-3-yl)imidazole is c1cn(C2CCOC2)cn1.
What is the InChIKey of 1-(oxolan-3-yl)imidazole?
The InChIKey is FXLDYFJKUDSHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-4-10-5-7(1)9-3-2-8-6-9/h2-3,6-7H,1,4-5H2.
What are the key properties of 1-(oxolan-3-yl)imidazole?
1-(oxolan-3-yl)imidazole has a molecular weight of 138.17 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)imidazole is sourced from PubChem (CID 63810500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).