3-ethyl-4H-imidazol-5-one

C5H8N2O — CID 69130121

IUPAC3-ethyl-4H-imidazol-5-one
SMILESCCN1C=NC(=O)C1
InChIInChI=1S/C5H8N2O/c1-2-7-3-5(8)6-4-7/h4H,2-3H2,1H3
InChIKeyMGRHYHYRSVUKHG-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.12
Rot. Bonds1

About 3-ethyl-4H-imidazol-5-one

3-ethyl-4H-imidazol-5-one (PubChem CID 69130121) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 3-ethyl-4H-imidazol-5-one.

Molecular Properties

Compound Name3-ethyl-4H-imidazol-5-one
PubChem CID69130121
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name3-ethyl-4H-imidazol-5-one
SMILESCCN1C=NC(=O)C1
InChIInChI=1S/C5H8N2O/c1-2-7-3-5(8)6-4-7/h4H,2-3H2,1H3
InChIKeyMGRHYHYRSVUKHG-UHFFFAOYSA-N
XLogP-0.12
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4H-imidazol-5-one?
The IUPAC name of 3-ethyl-4H-imidazol-5-one (CID 69130121) is 3-ethyl-4H-imidazol-5-one.
What is the SMILES notation for 3-ethyl-4H-imidazol-5-one?
The canonical SMILES for 3-ethyl-4H-imidazol-5-one is CCN1C=NC(=O)C1.
What is the InChIKey of 3-ethyl-4H-imidazol-5-one?
The InChIKey is MGRHYHYRSVUKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-2-7-3-5(8)6-4-7/h4H,2-3H2,1H3.
What are the key properties of 3-ethyl-4H-imidazol-5-one?
3-ethyl-4H-imidazol-5-one has a molecular weight of 112.13 g/mol, XLogP of -0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4H-imidazol-5-one is sourced from PubChem (CID 69130121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).