2-(oxolan-3-yl)-1H-imidazole

C7H10N2O — CID 58575418

IUPAC2-(oxolan-3-yl)-1H-imidazole
SMILESc1c[nH]c(C2CCOC2)n1
InChIInChI=1S/C7H10N2O/c1-4-10-5-6(1)7-8-2-3-9-7/h2-3,6H,1,4-5H2,(H,8,9)
InChIKeyWSANWYWVQCIGPE-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.91
Rot. Bonds1

About 2-(oxolan-3-yl)-1H-imidazole

2-(oxolan-3-yl)-1H-imidazole (PubChem CID 58575418) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(oxolan-3-yl)-1H-imidazole
PubChem CID58575418
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-(oxolan-3-yl)-1H-imidazole
SMILESc1c[nH]c(C2CCOC2)n1
InChIInChI=1S/C7H10N2O/c1-4-10-5-6(1)7-8-2-3-9-7/h2-3,6H,1,4-5H2,(H,8,9)
InChIKeyWSANWYWVQCIGPE-UHFFFAOYSA-N
XLogP0.91
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-1H-imidazole?
The IUPAC name of 2-(oxolan-3-yl)-1H-imidazole (CID 58575418) is 2-(oxolan-3-yl)-1H-imidazole.
What is the SMILES notation for 2-(oxolan-3-yl)-1H-imidazole?
The canonical SMILES for 2-(oxolan-3-yl)-1H-imidazole is c1c[nH]c(C2CCOC2)n1.
What is the InChIKey of 2-(oxolan-3-yl)-1H-imidazole?
The InChIKey is WSANWYWVQCIGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-4-10-5-6(1)7-8-2-3-9-7/h2-3,6H,1,4-5H2,(H,8,9).
What are the key properties of 2-(oxolan-3-yl)-1H-imidazole?
2-(oxolan-3-yl)-1H-imidazole has a molecular weight of 138.17 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-1H-imidazole is sourced from PubChem (CID 58575418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).