1-ethyl-3-(2-hydroxyethyl)imidazolidine-2,4,5-trione

C7H10N2O4 — CID 126988687

IUPAC1-ethyl-3-(2-hydroxyethyl)imidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(CCO)C1=O
InChIInChI=1S/C7H10N2O4/c1-2-8-5(11)6(12)9(3-4-10)7(8)13/h10H,2-4H2,1H3
InChIKeyDRIJDHCLXOFJRD-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.21
Rot. Bonds3

About 1-ethyl-3-(2-hydroxyethyl)imidazolidine-2,4,5-trione

1-ethyl-3-(2-hydroxyethyl)imidazolidine-2,4,5-trione (PubChem CID 126988687) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 1-ethyl-3-(2-hydroxyethyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-ethyl-3-(2-hydroxyethyl)imidazolidine-2,4,5-trione
PubChem CID126988687
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name1-ethyl-3-(2-hydroxyethyl)imidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(CCO)C1=O
InChIInChI=1S/C7H10N2O4/c1-2-8-5(11)6(12)9(3-4-10)7(8)13/h10H,2-4H2,1H3
InChIKeyDRIJDHCLXOFJRD-UHFFFAOYSA-N
XLogP-1.21
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-3-(2-hydroxyethyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-ethyl-3-(2-hydroxyethyl)imidazolidine-2,4,5-trione (CID 126988687) is 1-ethyl-3-(2-hydroxyethyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-ethyl-3-(2-hydroxyethyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-ethyl-3-(2-hydroxyethyl)imidazolidine-2,4,5-trione is CCN1C(=O)C(=O)N(CCO)C1=O.
What is the InChIKey of 1-ethyl-3-(2-hydroxyethyl)imidazolidine-2,4,5-trione?
The InChIKey is DRIJDHCLXOFJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-2-8-5(11)6(12)9(3-4-10)7(8)13/h10H,2-4H2,1H3.
What are the key properties of 1-ethyl-3-(2-hydroxyethyl)imidazolidine-2,4,5-trione?
1-ethyl-3-(2-hydroxyethyl)imidazolidine-2,4,5-trione has a molecular weight of 186.17 g/mol, XLogP of -1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-hydroxyethyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 126988687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).