1-acetylimidazolidine-2,4-dione

C5H6N2O3 — CID 13103688

IUPAC1-acetylimidazolidine-2,4-dione
SMILESCC(=O)N1CC(=O)NC1=O
InChIInChI=1S/C5H6N2O3/c1-3(8)7-2-4(9)6-5(7)10/h2H2,1H3,(H,6,9,10)
InChIKeyPZRTWEJREZGWCF-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.92
Rot. Bonds

About 1-acetylimidazolidine-2,4-dione

1-acetylimidazolidine-2,4-dione (PubChem CID 13103688) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 1-acetylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-acetylimidazolidine-2,4-dione
PubChem CID13103688
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name1-acetylimidazolidine-2,4-dione
SMILESCC(=O)N1CC(=O)NC1=O
InChIInChI=1S/C5H6N2O3/c1-3(8)7-2-4(9)6-5(7)10/h2H2,1H3,(H,6,9,10)
InChIKeyPZRTWEJREZGWCF-UHFFFAOYSA-N
XLogP-0.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-acetylimidazolidine-2,4-dione?
The IUPAC name of 1-acetylimidazolidine-2,4-dione (CID 13103688) is 1-acetylimidazolidine-2,4-dione.
What is the SMILES notation for 1-acetylimidazolidine-2,4-dione?
The canonical SMILES for 1-acetylimidazolidine-2,4-dione is CC(=O)N1CC(=O)NC1=O.
What is the InChIKey of 1-acetylimidazolidine-2,4-dione?
The InChIKey is PZRTWEJREZGWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c1-3(8)7-2-4(9)6-5(7)10/h2H2,1H3,(H,6,9,10).
What are the key properties of 1-acetylimidazolidine-2,4-dione?
1-acetylimidazolidine-2,4-dione has a molecular weight of 142.11 g/mol, XLogP of -0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetylimidazolidine-2,4-dione is sourced from PubChem (CID 13103688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).