1-(1,2-diacetylimidazol-4-yl)ethanone

C9H10N2O3 — CID 67114261

IUPAC1-(1,2-diacetylimidazol-4-yl)ethanone
SMILESCC(=O)c1cn(C(C)=O)c(C(C)=O)n1
InChIInChI=1S/C9H10N2O3/c1-5(12)8-4-11(7(3)14)9(10-8)6(2)13/h4H,1-3H3
InChIKeyHZDCJDBFPWPMSO-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.95
Rot. Bonds2

About 1-(1,2-diacetylimidazol-4-yl)ethanone

1-(1,2-diacetylimidazol-4-yl)ethanone (PubChem CID 67114261) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1-(1,2-diacetylimidazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1,2-diacetylimidazol-4-yl)ethanone
PubChem CID67114261
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name1-(1,2-diacetylimidazol-4-yl)ethanone
SMILESCC(=O)c1cn(C(C)=O)c(C(C)=O)n1
InChIInChI=1S/C9H10N2O3/c1-5(12)8-4-11(7(3)14)9(10-8)6(2)13/h4H,1-3H3
InChIKeyHZDCJDBFPWPMSO-UHFFFAOYSA-N
XLogP0.95
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-diacetylimidazol-4-yl)ethanone?
The IUPAC name of 1-(1,2-diacetylimidazol-4-yl)ethanone (CID 67114261) is 1-(1,2-diacetylimidazol-4-yl)ethanone.
What is the SMILES notation for 1-(1,2-diacetylimidazol-4-yl)ethanone?
The canonical SMILES for 1-(1,2-diacetylimidazol-4-yl)ethanone is CC(=O)c1cn(C(C)=O)c(C(C)=O)n1.
What is the InChIKey of 1-(1,2-diacetylimidazol-4-yl)ethanone?
The InChIKey is HZDCJDBFPWPMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-5(12)8-4-11(7(3)14)9(10-8)6(2)13/h4H,1-3H3.
What are the key properties of 1-(1,2-diacetylimidazol-4-yl)ethanone?
1-(1,2-diacetylimidazol-4-yl)ethanone has a molecular weight of 194.19 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-diacetylimidazol-4-yl)ethanone is sourced from PubChem (CID 67114261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).