1,3-diacetyl-4-methylimidazol-2-one

C8H10N2O3 — CID 12699181

IUPAC1,3-diacetyl-4-methylimidazol-2-one
SMILESCC(=O)n1cc(C)n(C(C)=O)c1=O
InChIInChI=1S/C8H10N2O3/c1-5-4-9(6(2)11)8(13)10(5)7(3)12/h4H,1-3H3
InChIKeyXEOIGWFDUXEZME-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.28
Rot. Bonds

About 1,3-diacetyl-4-methylimidazol-2-one

1,3-diacetyl-4-methylimidazol-2-one (PubChem CID 12699181) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 1,3-diacetyl-4-methylimidazol-2-one.

Molecular Properties

Compound Name1,3-diacetyl-4-methylimidazol-2-one
PubChem CID12699181
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name1,3-diacetyl-4-methylimidazol-2-one
SMILESCC(=O)n1cc(C)n(C(C)=O)c1=O
InChIInChI=1S/C8H10N2O3/c1-5-4-9(6(2)11)8(13)10(5)7(3)12/h4H,1-3H3
InChIKeyXEOIGWFDUXEZME-UHFFFAOYSA-N
XLogP0.28
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-diacetyl-4-methylimidazol-2-one?
The IUPAC name of 1,3-diacetyl-4-methylimidazol-2-one (CID 12699181) is 1,3-diacetyl-4-methylimidazol-2-one.
What is the SMILES notation for 1,3-diacetyl-4-methylimidazol-2-one?
The canonical SMILES for 1,3-diacetyl-4-methylimidazol-2-one is CC(=O)n1cc(C)n(C(C)=O)c1=O.
What is the InChIKey of 1,3-diacetyl-4-methylimidazol-2-one?
The InChIKey is XEOIGWFDUXEZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-4-9(6(2)11)8(13)10(5)7(3)12/h4H,1-3H3.
What are the key properties of 1,3-diacetyl-4-methylimidazol-2-one?
1,3-diacetyl-4-methylimidazol-2-one has a molecular weight of 182.18 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diacetyl-4-methylimidazol-2-one is sourced from PubChem (CID 12699181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).