2-(2,5-dioxoimidazolidin-4-yl)propanal

C6H8N2O3 — CID 88783473

IUPAC2-(2,5-dioxoimidazolidin-4-yl)propanal
SMILESCC(C=O)C1NC(=O)NC1=O
InChIInChI=1S/C6H8N2O3/c1-3(2-9)4-5(10)8-6(11)7-4/h2-4H,1H3,(H2,7,8,10,11)
InChIKeyTZQKHBXCSIQCLF-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.97
Rot. Bonds2

About 2-(2,5-dioxoimidazolidin-4-yl)propanal

2-(2,5-dioxoimidazolidin-4-yl)propanal (PubChem CID 88783473) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-4-yl)propanal.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-4-yl)propanal
PubChem CID88783473
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name2-(2,5-dioxoimidazolidin-4-yl)propanal
SMILESCC(C=O)C1NC(=O)NC1=O
InChIInChI=1S/C6H8N2O3/c1-3(2-9)4-5(10)8-6(11)7-4/h2-4H,1H3,(H2,7,8,10,11)
InChIKeyTZQKHBXCSIQCLF-UHFFFAOYSA-N
XLogP-0.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
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-(2,5-dioxoimidazolidin-4-yl)propanal?
The IUPAC name of 2-(2,5-dioxoimidazolidin-4-yl)propanal (CID 88783473) is 2-(2,5-dioxoimidazolidin-4-yl)propanal.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-4-yl)propanal?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-4-yl)propanal is CC(C=O)C1NC(=O)NC1=O.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-4-yl)propanal?
The InChIKey is TZQKHBXCSIQCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-3(2-9)4-5(10)8-6(11)7-4/h2-4H,1H3,(H2,7,8,10,11).
What are the key properties of 2-(2,5-dioxoimidazolidin-4-yl)propanal?
2-(2,5-dioxoimidazolidin-4-yl)propanal has a molecular weight of 156.14 g/mol, XLogP of -0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-4-yl)propanal is sourced from PubChem (CID 88783473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).