2-(3-acetyl-5-hydroxy-2-oxoimidazol-1-yl)acetaldehyde

C7H8N2O4 — CID 54503226

IUPAC2-(3-acetyl-5-hydroxy-2-oxoimidazol-1-yl)acetaldehyde
SMILESCC(=O)n1cc(O)n(CC=O)c1=O
InChIInChI=1S/C7H8N2O4/c1-5(11)9-4-6(12)8(2-3-10)7(9)13/h3-4,12H,2H2,1H3
InChIKeyQBVHLNPFPVKKAE-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.79
Rot. Bonds2

About 2-(3-acetyl-5-hydroxy-2-oxoimidazol-1-yl)acetaldehyde

2-(3-acetyl-5-hydroxy-2-oxoimidazol-1-yl)acetaldehyde (PubChem CID 54503226) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(3-acetyl-5-hydroxy-2-oxoimidazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-acetyl-5-hydroxy-2-oxoimidazol-1-yl)acetaldehyde
PubChem CID54503226
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name2-(3-acetyl-5-hydroxy-2-oxoimidazol-1-yl)acetaldehyde
SMILESCC(=O)n1cc(O)n(CC=O)c1=O
InChIInChI=1S/C7H8N2O4/c1-5(11)9-4-6(12)8(2-3-10)7(9)13/h3-4,12H,2H2,1H3
InChIKeyQBVHLNPFPVKKAE-UHFFFAOYSA-N
XLogP-0.79
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1,3-Diacetyl-4-hydroxyimidazol-2-one
CID 54025907
2-(5-Hydroxy-3-methyl-2-oxoimidazol-1-yl)acetaldehyde
CID 123728953
2-(3-Ethyl-2-oxoimidazol-1-yl)acetaldehyde
CID 80580866
2-(3-Methyl-2-oxoimidazol-1-yl)acetaldehyde
CID 80581012

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-5-hydroxy-2-oxoimidazol-1-yl)acetaldehyde?
The IUPAC name of 2-(3-acetyl-5-hydroxy-2-oxoimidazol-1-yl)acetaldehyde (CID 54503226) is 2-(3-acetyl-5-hydroxy-2-oxoimidazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(3-acetyl-5-hydroxy-2-oxoimidazol-1-yl)acetaldehyde?
The canonical SMILES for 2-(3-acetyl-5-hydroxy-2-oxoimidazol-1-yl)acetaldehyde is CC(=O)n1cc(O)n(CC=O)c1=O.
What is the InChIKey of 2-(3-acetyl-5-hydroxy-2-oxoimidazol-1-yl)acetaldehyde?
The InChIKey is QBVHLNPFPVKKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-5(11)9-4-6(12)8(2-3-10)7(9)13/h3-4,12H,2H2,1H3.
What are the key properties of 2-(3-acetyl-5-hydroxy-2-oxoimidazol-1-yl)acetaldehyde?
2-(3-acetyl-5-hydroxy-2-oxoimidazol-1-yl)acetaldehyde has a molecular weight of 184.15 g/mol, XLogP of -0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-5-hydroxy-2-oxoimidazol-1-yl)acetaldehyde is sourced from PubChem (CID 54503226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).