3-(2-ethenoxyethyl)-4-hydroxy-1-methylimidazol-2-one

C8H12N2O3 — CID 54549563

IUPAC3-(2-ethenoxyethyl)-4-hydroxy-1-methylimidazol-2-one
SMILESC=COCCn1c(O)cn(C)c1=O
InChIInChI=1S/C8H12N2O3/c1-3-13-5-4-10-7(11)6-9(2)8(10)12/h3,6,11H,1,4-5H2,2H3
InChIKeyZIYHMRNWSYLZCC-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.05
Rot. Bonds4

About 3-(2-ethenoxyethyl)-4-hydroxy-1-methylimidazol-2-one

3-(2-ethenoxyethyl)-4-hydroxy-1-methylimidazol-2-one (PubChem CID 54549563) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-(2-ethenoxyethyl)-4-hydroxy-1-methylimidazol-2-one.

Molecular Properties

Compound Name3-(2-ethenoxyethyl)-4-hydroxy-1-methylimidazol-2-one
PubChem CID54549563
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-(2-ethenoxyethyl)-4-hydroxy-1-methylimidazol-2-one
SMILESC=COCCn1c(O)cn(C)c1=O
InChIInChI=1S/C8H12N2O3/c1-3-13-5-4-10-7(11)6-9(2)8(10)12/h3,6,11H,1,4-5H2,2H3
InChIKeyZIYHMRNWSYLZCC-UHFFFAOYSA-N
XLogP0.05
TPSA56.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethenoxyethyl)-4-hydroxy-1-methylimidazol-2-one?
The IUPAC name of 3-(2-ethenoxyethyl)-4-hydroxy-1-methylimidazol-2-one (CID 54549563) is 3-(2-ethenoxyethyl)-4-hydroxy-1-methylimidazol-2-one.
What is the SMILES notation for 3-(2-ethenoxyethyl)-4-hydroxy-1-methylimidazol-2-one?
The canonical SMILES for 3-(2-ethenoxyethyl)-4-hydroxy-1-methylimidazol-2-one is C=COCCn1c(O)cn(C)c1=O.
What is the InChIKey of 3-(2-ethenoxyethyl)-4-hydroxy-1-methylimidazol-2-one?
The InChIKey is ZIYHMRNWSYLZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-13-5-4-10-7(11)6-9(2)8(10)12/h3,6,11H,1,4-5H2,2H3.
What are the key properties of 3-(2-ethenoxyethyl)-4-hydroxy-1-methylimidazol-2-one?
3-(2-ethenoxyethyl)-4-hydroxy-1-methylimidazol-2-one has a molecular weight of 184.19 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenoxyethyl)-4-hydroxy-1-methylimidazol-2-one is sourced from PubChem (CID 54549563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).