1H-imidazol-2-yl(oxolan-2-yl)methanone

C8H10N2O2 — CID 67402891

IUPAC1H-imidazol-2-yl(oxolan-2-yl)methanone
SMILESO=C(c1ncc[nH]1)C1CCCO1
InChIInChI=1S/C8H10N2O2/c11-7(6-2-1-5-12-6)8-9-3-4-10-8/h3-4,6H,1-2,5H2,(H,9,10)
InChIKeyNFNKUNCIJVZIPI-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.77
Rot. Bonds2

About 1H-imidazol-2-yl(oxolan-2-yl)methanone

1H-imidazol-2-yl(oxolan-2-yl)methanone (PubChem CID 67402891) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1H-imidazol-2-yl(oxolan-2-yl)methanone.

Molecular Properties

Compound Name1H-imidazol-2-yl(oxolan-2-yl)methanone
PubChem CID67402891
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1H-imidazol-2-yl(oxolan-2-yl)methanone
SMILESO=C(c1ncc[nH]1)C1CCCO1
InChIInChI=1S/C8H10N2O2/c11-7(6-2-1-5-12-6)8-9-3-4-10-8/h3-4,6H,1-2,5H2,(H,9,10)
InChIKeyNFNKUNCIJVZIPI-UHFFFAOYSA-N
XLogP0.77
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yl(oxolan-2-yl)methanone?
The IUPAC name of 1H-imidazol-2-yl(oxolan-2-yl)methanone (CID 67402891) is 1H-imidazol-2-yl(oxolan-2-yl)methanone.
What is the SMILES notation for 1H-imidazol-2-yl(oxolan-2-yl)methanone?
The canonical SMILES for 1H-imidazol-2-yl(oxolan-2-yl)methanone is O=C(c1ncc[nH]1)C1CCCO1.
What is the InChIKey of 1H-imidazol-2-yl(oxolan-2-yl)methanone?
The InChIKey is NFNKUNCIJVZIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-7(6-2-1-5-12-6)8-9-3-4-10-8/h3-4,6H,1-2,5H2,(H,9,10).
What are the key properties of 1H-imidazol-2-yl(oxolan-2-yl)methanone?
1H-imidazol-2-yl(oxolan-2-yl)methanone has a molecular weight of 166.18 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl(oxolan-2-yl)methanone is sourced from PubChem (CID 67402891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).