2-(3,6-dihydro-2H-pyran-3-yl)-1H-imidazole

C8H10N2O — CID 91540195

IUPAC2-(3,6-dihydro-2H-pyran-3-yl)-1H-imidazole
SMILESC1=CC(c2ncc[nH]2)COC1
InChIInChI=1S/C8H10N2O/c1-2-7(6-11-5-1)8-9-3-4-10-8/h1-4,7H,5-6H2,(H,9,10)
InChIKeyOWUAMAZBLJNQOH-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.08
Rot. Bonds1

About 2-(3,6-dihydro-2H-pyran-3-yl)-1H-imidazole

2-(3,6-dihydro-2H-pyran-3-yl)-1H-imidazole (PubChem CID 91540195) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-3-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-3-yl)-1H-imidazole
PubChem CID91540195
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-(3,6-dihydro-2H-pyran-3-yl)-1H-imidazole
SMILESC1=CC(c2ncc[nH]2)COC1
InChIInChI=1S/C8H10N2O/c1-2-7(6-11-5-1)8-9-3-4-10-8/h1-4,7H,5-6H2,(H,9,10)
InChIKeyOWUAMAZBLJNQOH-UHFFFAOYSA-N
XLogP1.08
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-3-yl)-1H-imidazole?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-3-yl)-1H-imidazole (CID 91540195) is 2-(3,6-dihydro-2H-pyran-3-yl)-1H-imidazole.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-3-yl)-1H-imidazole?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-3-yl)-1H-imidazole is C1=CC(c2ncc[nH]2)COC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-3-yl)-1H-imidazole?
The InChIKey is OWUAMAZBLJNQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-2-7(6-11-5-1)8-9-3-4-10-8/h1-4,7H,5-6H2,(H,9,10).
What are the key properties of 2-(3,6-dihydro-2H-pyran-3-yl)-1H-imidazole?
2-(3,6-dihydro-2H-pyran-3-yl)-1H-imidazole has a molecular weight of 150.18 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-3-yl)-1H-imidazole is sourced from PubChem (CID 91540195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).