imidazolidine-2,4-dione;trihydrate

C3H10N2O5 — CID 70617866

IUPACimidazolidine-2,4-dione;trihydrate
SMILESO.O.O.O=C1CNC(=O)N1
InChIInChI=1S/C3H4N2O2.3H2O/c6-2-1-4-3(7)5-2;;;/h1H2,(H2,4,5,6,7);3*1H2
InChIKeyWPNHJUBEGQOKIT-UHFFFAOYSA-N
MW154.12 g/mol
LogP-3.65
Rot. Bonds

About imidazolidine-2,4-dione;trihydrate

imidazolidine-2,4-dione;trihydrate (PubChem CID 70617866) has the molecular formula C3H10N2O5 and a molecular weight of 154.12 g/mol. Its IUPAC name is imidazolidine-2,4-dione;trihydrate.

Molecular Properties

Compound Nameimidazolidine-2,4-dione;trihydrate
PubChem CID70617866
Molecular FormulaC3H10N2O5
Molecular Weight154.12 g/mol
Exact Mass154.06
IUPAC Nameimidazolidine-2,4-dione;trihydrate
SMILESO.O.O.O=C1CNC(=O)N1
InChIInChI=1S/C3H4N2O2.3H2O/c6-2-1-4-3(7)5-2;;;/h1H2,(H2,4,5,6,7);3*1H2
InChIKeyWPNHJUBEGQOKIT-UHFFFAOYSA-N
XLogP-3.65
TPSA152.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-3.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of imidazolidine-2,4-dione;trihydrate?
The IUPAC name of imidazolidine-2,4-dione;trihydrate (CID 70617866) is imidazolidine-2,4-dione;trihydrate.
What is the SMILES notation for imidazolidine-2,4-dione;trihydrate?
The canonical SMILES for imidazolidine-2,4-dione;trihydrate is O.O.O.O=C1CNC(=O)N1.
What is the InChIKey of imidazolidine-2,4-dione;trihydrate?
The InChIKey is WPNHJUBEGQOKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O2.3H2O/c6-2-1-4-3(7)5-2;;;/h1H2,(H2,4,5,6,7);3*1H2.
What are the key properties of imidazolidine-2,4-dione;trihydrate?
imidazolidine-2,4-dione;trihydrate has a molecular weight of 154.12 g/mol, XLogP of -3.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imidazolidine-2,4-dione;trihydrate is sourced from PubChem (CID 70617866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).