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

C6H8N2O3 — CID 123728953

IUPAC2-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)acetaldehyde
SMILESCn1cc(O)n(CC=O)c1=O
InChIInChI=1S/C6H8N2O3/c1-7-4-5(10)8(2-3-9)6(7)11/h3-4,10H,2H2,1H3
InChIKeyOAYPBMOMLHPALI-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.91
Rot. Bonds2

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

2-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)acetaldehyde (PubChem CID 123728953) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)acetaldehyde
PubChem CID123728953
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name2-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)acetaldehyde
SMILESCn1cc(O)n(CC=O)c1=O
InChIInChI=1S/C6H8N2O3/c1-7-4-5(10)8(2-3-9)6(7)11/h3-4,10H,2H2,1H3
InChIKeyOAYPBMOMLHPALI-UHFFFAOYSA-N
XLogP-0.91
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)acetaldehyde?
The IUPAC name of 2-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)acetaldehyde (CID 123728953) is 2-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)acetaldehyde?
The canonical SMILES for 2-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)acetaldehyde is Cn1cc(O)n(CC=O)c1=O.
What is the InChIKey of 2-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)acetaldehyde?
The InChIKey is OAYPBMOMLHPALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-7-4-5(10)8(2-3-9)6(7)11/h3-4,10H,2H2,1H3.
What are the key properties of 2-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)acetaldehyde?
2-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)acetaldehyde has a molecular weight of 156.14 g/mol, XLogP of -0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)acetaldehyde is sourced from PubChem (CID 123728953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).