2,4-dioxoimidazolidine-1-carbaldehyde

C4H4N2O3 — CID 87283465

IUPAC2,4-dioxoimidazolidine-1-carbaldehyde
SMILESO=CN1CC(=O)NC1=O
InChIInChI=1S/C4H4N2O3/c7-2-6-1-3(8)5-4(6)9/h2H,1H2,(H,5,8,9)
InChIKeyRJTBJSRBUAJIRJ-UHFFFAOYSA-N
MW128.09 g/mol
LogP-1.31
Rot. Bonds1

About 2,4-dioxoimidazolidine-1-carbaldehyde

2,4-dioxoimidazolidine-1-carbaldehyde (PubChem CID 87283465) has the molecular formula C4H4N2O3 and a molecular weight of 128.09 g/mol. Its IUPAC name is 2,4-dioxoimidazolidine-1-carbaldehyde.

Molecular Properties

Compound Name2,4-dioxoimidazolidine-1-carbaldehyde
PubChem CID87283465
Molecular FormulaC4H4N2O3
Molecular Weight128.09 g/mol
Exact Mass128.02
IUPAC Name2,4-dioxoimidazolidine-1-carbaldehyde
SMILESO=CN1CC(=O)NC1=O
InChIInChI=1S/C4H4N2O3/c7-2-6-1-3(8)5-4(6)9/h2H,1H2,(H,5,8,9)
InChIKeyRJTBJSRBUAJIRJ-UHFFFAOYSA-N
XLogP-1.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,4-dioxoimidazolidine-1-carbaldehyde?
The IUPAC name of 2,4-dioxoimidazolidine-1-carbaldehyde (CID 87283465) is 2,4-dioxoimidazolidine-1-carbaldehyde.
What is the SMILES notation for 2,4-dioxoimidazolidine-1-carbaldehyde?
The canonical SMILES for 2,4-dioxoimidazolidine-1-carbaldehyde is O=CN1CC(=O)NC1=O.
What is the InChIKey of 2,4-dioxoimidazolidine-1-carbaldehyde?
The InChIKey is RJTBJSRBUAJIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O3/c7-2-6-1-3(8)5-4(6)9/h2H,1H2,(H,5,8,9).
What are the key properties of 2,4-dioxoimidazolidine-1-carbaldehyde?
2,4-dioxoimidazolidine-1-carbaldehyde has a molecular weight of 128.09 g/mol, XLogP of -1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxoimidazolidine-1-carbaldehyde is sourced from PubChem (CID 87283465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).