5-hydroxy-2,4-dioxoimidazolidine-1-carbaldehyde

C4H4N2O4 — CID 541443

IUPAC5-hydroxy-2,4-dioxoimidazolidine-1-carbaldehyde
SMILESO=CN1C(=O)NC(=O)C1O
InChIInChI=1S/C4H4N2O4/c7-1-6-3(9)2(8)5-4(6)10/h1,3,9H,(H,5,8,10)
InChIKeyLJFFFJAFJCDBRH-UHFFFAOYSA-N
MW144.09 g/mol
LogP-1.99
Rot. Bonds1

About 5-hydroxy-2,4-dioxoimidazolidine-1-carbaldehyde

5-hydroxy-2,4-dioxoimidazolidine-1-carbaldehyde (PubChem CID 541443) has the molecular formula C4H4N2O4 and a molecular weight of 144.09 g/mol. Its IUPAC name is 5-hydroxy-2,4-dioxoimidazolidine-1-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-2,4-dioxoimidazolidine-1-carbaldehyde
PubChem CID541443
Molecular FormulaC4H4N2O4
Molecular Weight144.09 g/mol
Exact Mass144.02
IUPAC Name5-hydroxy-2,4-dioxoimidazolidine-1-carbaldehyde
SMILESO=CN1C(=O)NC(=O)C1O
InChIInChI=1S/C4H4N2O4/c7-1-6-3(9)2(8)5-4(6)10/h1,3,9H,(H,5,8,10)
InChIKeyLJFFFJAFJCDBRH-UHFFFAOYSA-N
XLogP-1.99
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.09
LogP ≤ 5-1.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,4-dioxoimidazolidine-1-carbaldehyde?
The IUPAC name of 5-hydroxy-2,4-dioxoimidazolidine-1-carbaldehyde (CID 541443) is 5-hydroxy-2,4-dioxoimidazolidine-1-carbaldehyde.
What is the SMILES notation for 5-hydroxy-2,4-dioxoimidazolidine-1-carbaldehyde?
The canonical SMILES for 5-hydroxy-2,4-dioxoimidazolidine-1-carbaldehyde is O=CN1C(=O)NC(=O)C1O.
What is the InChIKey of 5-hydroxy-2,4-dioxoimidazolidine-1-carbaldehyde?
The InChIKey is LJFFFJAFJCDBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O4/c7-1-6-3(9)2(8)5-4(6)10/h1,3,9H,(H,5,8,10).
What are the key properties of 5-hydroxy-2,4-dioxoimidazolidine-1-carbaldehyde?
5-hydroxy-2,4-dioxoimidazolidine-1-carbaldehyde has a molecular weight of 144.09 g/mol, XLogP of -1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,4-dioxoimidazolidine-1-carbaldehyde is sourced from PubChem (CID 541443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).