imidazolidine-2,4,5-trione;isocyanic acid

C5H4N4O5 — CID 88789640

IUPACimidazolidine-2,4,5-trione;isocyanic acid
SMILESN=C=O.N=C=O.O=C1NC(=O)C(=O)N1
InChIInChI=1S/C3H2N2O3.2CHNO/c6-1-2(7)5-3(8)4-1;2*2-1-3/h(H2,4,5,6,7,8);2*2H
InChIKeyZJDLQDHLFDJFQK-UHFFFAOYSA-N
MW200.11 g/mol
LogP-1.85
Rot. Bonds

About imidazolidine-2,4,5-trione;isocyanic acid

imidazolidine-2,4,5-trione;isocyanic acid (PubChem CID 88789640) has the molecular formula C5H4N4O5 and a molecular weight of 200.11 g/mol. Its IUPAC name is imidazolidine-2,4,5-trione;isocyanic acid.

Molecular Properties

Compound Nameimidazolidine-2,4,5-trione;isocyanic acid
PubChem CID88789640
Molecular FormulaC5H4N4O5
Molecular Weight200.11 g/mol
Exact Mass200.02
IUPAC Nameimidazolidine-2,4,5-trione;isocyanic acid
SMILESN=C=O.N=C=O.O=C1NC(=O)C(=O)N1
InChIInChI=1S/C3H2N2O3.2CHNO/c6-1-2(7)5-3(8)4-1;2*2-1-3/h(H2,4,5,6,7,8);2*2H
InChIKeyZJDLQDHLFDJFQK-UHFFFAOYSA-N
XLogP-1.85
TPSA157.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.11
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of imidazolidine-2,4,5-trione;isocyanic acid?
The IUPAC name of imidazolidine-2,4,5-trione;isocyanic acid (CID 88789640) is imidazolidine-2,4,5-trione;isocyanic acid.
What is the SMILES notation for imidazolidine-2,4,5-trione;isocyanic acid?
The canonical SMILES for imidazolidine-2,4,5-trione;isocyanic acid is N=C=O.N=C=O.O=C1NC(=O)C(=O)N1.
What is the InChIKey of imidazolidine-2,4,5-trione;isocyanic acid?
The InChIKey is ZJDLQDHLFDJFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N2O3.2CHNO/c6-1-2(7)5-3(8)4-1;2*2-1-3/h(H2,4,5,6,7,8);2*2H.
What are the key properties of imidazolidine-2,4,5-trione;isocyanic acid?
imidazolidine-2,4,5-trione;isocyanic acid has a molecular weight of 200.11 g/mol, XLogP of -1.85, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for imidazolidine-2,4,5-trione;isocyanic acid is sourced from PubChem (CID 88789640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).