5,5-diacetylimidazolidine-2,4-dione

C7H8N2O4 — CID 67695660

IUPAC5,5-diacetylimidazolidine-2,4-dione
SMILESCC(=O)C1(C(C)=O)NC(=O)NC1=O
InChIInChI=1S/C7H8N2O4/c1-3(10)7(4(2)11)5(12)8-6(13)9-7/h1-2H3,(H2,8,9,12,13)
InChIKeyZKJQYQCGAYCEBU-UHFFFAOYSA-N
MW184.15 g/mol
LogP-1.26
Rot. Bonds2

About 5,5-diacetylimidazolidine-2,4-dione

5,5-diacetylimidazolidine-2,4-dione (PubChem CID 67695660) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 5,5-diacetylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diacetylimidazolidine-2,4-dione
PubChem CID67695660
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name5,5-diacetylimidazolidine-2,4-dione
SMILESCC(=O)C1(C(C)=O)NC(=O)NC1=O
InChIInChI=1S/C7H8N2O4/c1-3(10)7(4(2)11)5(12)8-6(13)9-7/h1-2H3,(H2,8,9,12,13)
InChIKeyZKJQYQCGAYCEBU-UHFFFAOYSA-N
XLogP-1.26
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 5,5-diacetylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-diacetylimidazolidine-2,4-dione?
The IUPAC name of 5,5-diacetylimidazolidine-2,4-dione (CID 67695660) is 5,5-diacetylimidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diacetylimidazolidine-2,4-dione?
The canonical SMILES for 5,5-diacetylimidazolidine-2,4-dione is CC(=O)C1(C(C)=O)NC(=O)NC1=O.
What is the InChIKey of 5,5-diacetylimidazolidine-2,4-dione?
The InChIKey is ZKJQYQCGAYCEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-3(10)7(4(2)11)5(12)8-6(13)9-7/h1-2H3,(H2,8,9,12,13).
What are the key properties of 5,5-diacetylimidazolidine-2,4-dione?
5,5-diacetylimidazolidine-2,4-dione has a molecular weight of 184.15 g/mol, XLogP of -1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diacetylimidazolidine-2,4-dione is sourced from PubChem (CID 67695660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).