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

C5H6N2O4 — CID 45088579

IUPAC1-(2-hydroxyethyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(CCO)C1=O
InChIInChI=1S/C5H6N2O4/c8-2-1-7-4(10)3(9)6-5(7)11/h8H,1-2H2,(H,6,9,11)
InChIKeyDJMPQFPACCOZLI-UHFFFAOYSA-N
MW158.11 g/mol
LogP-1.94
Rot. Bonds2

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

1-(2-hydroxyethyl)imidazolidine-2,4,5-trione (PubChem CID 45088579) has the molecular formula C5H6N2O4 and a molecular weight of 158.11 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)imidazolidine-2,4,5-trione
PubChem CID45088579
Molecular FormulaC5H6N2O4
Molecular Weight158.11 g/mol
Exact Mass158.03
IUPAC Name1-(2-hydroxyethyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(CCO)C1=O
InChIInChI=1S/C5H6N2O4/c8-2-1-7-4(10)3(9)6-5(7)11/h8H,1-2H2,(H,6,9,11)
InChIKeyDJMPQFPACCOZLI-UHFFFAOYSA-N
XLogP-1.94
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-1.94
H-Bond Donors ≤ 52
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-(2-hydroxyethyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(2-hydroxyethyl)imidazolidine-2,4,5-trione (CID 45088579) is 1-(2-hydroxyethyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(2-hydroxyethyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(2-hydroxyethyl)imidazolidine-2,4,5-trione is O=C1NC(=O)N(CCO)C1=O.
What is the InChIKey of 1-(2-hydroxyethyl)imidazolidine-2,4,5-trione?
The InChIKey is DJMPQFPACCOZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4/c8-2-1-7-4(10)3(9)6-5(7)11/h8H,1-2H2,(H,6,9,11).
What are the key properties of 1-(2-hydroxyethyl)imidazolidine-2,4,5-trione?
1-(2-hydroxyethyl)imidazolidine-2,4,5-trione has a molecular weight of 158.11 g/mol, XLogP of -1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 45088579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).