1-acetyl-3-ethyl-4,5-dimethylimidazol-2-one

C9H14N2O2 — CID 15880319

IUPAC1-acetyl-3-ethyl-4,5-dimethylimidazol-2-one
SMILESCCn1c(C)c(C)n(C(C)=O)c1=O
InChIInChI=1S/C9H14N2O2/c1-5-10-6(2)7(3)11(8(4)12)9(10)13/h5H2,1-4H3
InChIKeyIICLKZCIMNDGQT-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.95
Rot. Bonds1

About 1-acetyl-3-ethyl-4,5-dimethylimidazol-2-one

1-acetyl-3-ethyl-4,5-dimethylimidazol-2-one (PubChem CID 15880319) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-acetyl-3-ethyl-4,5-dimethylimidazol-2-one.

Molecular Properties

Compound Name1-acetyl-3-ethyl-4,5-dimethylimidazol-2-one
PubChem CID15880319
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-acetyl-3-ethyl-4,5-dimethylimidazol-2-one
SMILESCCn1c(C)c(C)n(C(C)=O)c1=O
InChIInChI=1S/C9H14N2O2/c1-5-10-6(2)7(3)11(8(4)12)9(10)13/h5H2,1-4H3
InChIKeyIICLKZCIMNDGQT-UHFFFAOYSA-N
XLogP0.95
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-ethyl-4,5-dimethylimidazol-2-one?
The IUPAC name of 1-acetyl-3-ethyl-4,5-dimethylimidazol-2-one (CID 15880319) is 1-acetyl-3-ethyl-4,5-dimethylimidazol-2-one.
What is the SMILES notation for 1-acetyl-3-ethyl-4,5-dimethylimidazol-2-one?
The canonical SMILES for 1-acetyl-3-ethyl-4,5-dimethylimidazol-2-one is CCn1c(C)c(C)n(C(C)=O)c1=O.
What is the InChIKey of 1-acetyl-3-ethyl-4,5-dimethylimidazol-2-one?
The InChIKey is IICLKZCIMNDGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5-10-6(2)7(3)11(8(4)12)9(10)13/h5H2,1-4H3.
What are the key properties of 1-acetyl-3-ethyl-4,5-dimethylimidazol-2-one?
1-acetyl-3-ethyl-4,5-dimethylimidazol-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-ethyl-4,5-dimethylimidazol-2-one is sourced from PubChem (CID 15880319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).