1-ethylimidazolidine-2,4,5-trione

C5H6N2O3 — CID 3301639

IUPAC1-ethylimidazolidine-2,4,5-trione
SMILESCCN1C(=O)NC(=O)C1=O
InChIInChI=1S/C5H6N2O3/c1-2-7-4(9)3(8)6-5(7)10/h2H2,1H3,(H,6,8,10)
InChIKeyVIGJKMRHILAFFC-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.92
Rot. Bonds1

About 1-ethylimidazolidine-2,4,5-trione

1-ethylimidazolidine-2,4,5-trione (PubChem CID 3301639) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 1-ethylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-ethylimidazolidine-2,4,5-trione
PubChem CID3301639
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name1-ethylimidazolidine-2,4,5-trione
SMILESCCN1C(=O)NC(=O)C1=O
InChIInChI=1S/C5H6N2O3/c1-2-7-4(9)3(8)6-5(7)10/h2H2,1H3,(H,6,8,10)
InChIKeyVIGJKMRHILAFFC-UHFFFAOYSA-N
XLogP-0.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

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CID 439714
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CID 684551
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CID 138851
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CID 79350
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CID 123196
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CID 181740
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CID 181667
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Frequently Asked Questions

What is the IUPAC name of 1-ethylimidazolidine-2,4,5-trione?
The IUPAC name of 1-ethylimidazolidine-2,4,5-trione (CID 3301639) is 1-ethylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-ethylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-ethylimidazolidine-2,4,5-trione is CCN1C(=O)NC(=O)C1=O.
What is the InChIKey of 1-ethylimidazolidine-2,4,5-trione?
The InChIKey is VIGJKMRHILAFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c1-2-7-4(9)3(8)6-5(7)10/h2H2,1H3,(H,6,8,10).
What are the key properties of 1-ethylimidazolidine-2,4,5-trione?
1-ethylimidazolidine-2,4,5-trione has a molecular weight of 142.11 g/mol, XLogP of -0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylimidazolidine-2,4,5-trione is sourced from PubChem (CID 3301639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).