1,3-diethylimidazolidine-2,4,5-trione

C7H10N2O3 — CID 598344

IUPAC1,3-diethylimidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(CC)C1=O
InChIInChI=1S/C7H10N2O3/c1-3-8-5(10)6(11)9(4-2)7(8)12/h3-4H2,1-2H3
InChIKeyFIVYSVJPFYJRPJ-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.18
Rot. Bonds2

About 1,3-diethylimidazolidine-2,4,5-trione

1,3-diethylimidazolidine-2,4,5-trione (PubChem CID 598344) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1,3-diethylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1,3-diethylimidazolidine-2,4,5-trione
PubChem CID598344
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name1,3-diethylimidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(CC)C1=O
InChIInChI=1S/C7H10N2O3/c1-3-8-5(10)6(11)9(4-2)7(8)12/h3-4H2,1-2H3
InChIKeyFIVYSVJPFYJRPJ-UHFFFAOYSA-N
XLogP-0.18
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethylimidazolidine-2,4,5-trione?
The IUPAC name of 1,3-diethylimidazolidine-2,4,5-trione (CID 598344) is 1,3-diethylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1,3-diethylimidazolidine-2,4,5-trione?
The canonical SMILES for 1,3-diethylimidazolidine-2,4,5-trione is CCN1C(=O)C(=O)N(CC)C1=O.
What is the InChIKey of 1,3-diethylimidazolidine-2,4,5-trione?
The InChIKey is FIVYSVJPFYJRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-3-8-5(10)6(11)9(4-2)7(8)12/h3-4H2,1-2H3.
What are the key properties of 1,3-diethylimidazolidine-2,4,5-trione?
1,3-diethylimidazolidine-2,4,5-trione has a molecular weight of 170.17 g/mol, XLogP of -0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylimidazolidine-2,4,5-trione is sourced from PubChem (CID 598344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).