5-ethylimidazole-2,4-dione

C5H6N2O2 — CID 69453040

IUPAC5-ethylimidazole-2,4-dione
SMILESCCC1=NC(=O)NC1=O
InChIInChI=1S/C5H6N2O2/c1-2-3-4(8)7-5(9)6-3/h2H2,1H3,(H,7,8,9)
InChIKeyLQFJSVARESIACW-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.09
Rot. Bonds1

About 5-ethylimidazole-2,4-dione

5-ethylimidazole-2,4-dione (PubChem CID 69453040) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 5-ethylimidazole-2,4-dione.

Molecular Properties

Compound Name5-ethylimidazole-2,4-dione
PubChem CID69453040
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name5-ethylimidazole-2,4-dione
SMILESCCC1=NC(=O)NC1=O
InChIInChI=1S/C5H6N2O2/c1-2-3-4(8)7-5(9)6-3/h2H2,1H3,(H,7,8,9)
InChIKeyLQFJSVARESIACW-UHFFFAOYSA-N
XLogP0.09
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethylimidazole-2,4-dione?
The IUPAC name of 5-ethylimidazole-2,4-dione (CID 69453040) is 5-ethylimidazole-2,4-dione.
What is the SMILES notation for 5-ethylimidazole-2,4-dione?
The canonical SMILES for 5-ethylimidazole-2,4-dione is CCC1=NC(=O)NC1=O.
What is the InChIKey of 5-ethylimidazole-2,4-dione?
The InChIKey is LQFJSVARESIACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-2-3-4(8)7-5(9)6-3/h2H2,1H3,(H,7,8,9).
What are the key properties of 5-ethylimidazole-2,4-dione?
5-ethylimidazole-2,4-dione has a molecular weight of 126.11 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylimidazole-2,4-dione is sourced from PubChem (CID 69453040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).