1-(1H-imidazol-2-yl)-2-(oxan-4-yl)ethanone

C10H14N2O2 — CID 67402710

IUPAC1-(1H-imidazol-2-yl)-2-(oxan-4-yl)ethanone
SMILESO=C(CC1CCOCC1)c1ncc[nH]1
InChIInChI=1S/C10H14N2O2/c13-9(10-11-3-4-12-10)7-8-1-5-14-6-2-8/h3-4,8H,1-2,5-7H2,(H,11,12)
InChIKeyRUBNQTCPVDAZOV-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.41
Rot. Bonds3

About 1-(1H-imidazol-2-yl)-2-(oxan-4-yl)ethanone

1-(1H-imidazol-2-yl)-2-(oxan-4-yl)ethanone (PubChem CID 67402710) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-2-(oxan-4-yl)ethanone
PubChem CID67402710
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(1H-imidazol-2-yl)-2-(oxan-4-yl)ethanone
SMILESO=C(CC1CCOCC1)c1ncc[nH]1
InChIInChI=1S/C10H14N2O2/c13-9(10-11-3-4-12-10)7-8-1-5-14-6-2-8/h3-4,8H,1-2,5-7H2,(H,11,12)
InChIKeyRUBNQTCPVDAZOV-UHFFFAOYSA-N
XLogP1.41
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-(1H-imidazol-2-yl)-2-(oxan-4-yl)ethanone (CID 67402710) is 1-(1H-imidazol-2-yl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-(1H-imidazol-2-yl)-2-(oxan-4-yl)ethanone is O=C(CC1CCOCC1)c1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-2-(oxan-4-yl)ethanone?
The InChIKey is RUBNQTCPVDAZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-9(10-11-3-4-12-10)7-8-1-5-14-6-2-8/h3-4,8H,1-2,5-7H2,(H,11,12).
What are the key properties of 1-(1H-imidazol-2-yl)-2-(oxan-4-yl)ethanone?
1-(1H-imidazol-2-yl)-2-(oxan-4-yl)ethanone has a molecular weight of 194.23 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 67402710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).