1-(azetidin-3-yl)imidazolidine-2,4,5-trione

C6H7N3O3 — CID 121208937

IUPAC1-(azetidin-3-yl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(C2CNC2)C1=O
InChIInChI=1S/C6H7N3O3/c10-4-5(11)9(6(12)8-4)3-1-7-2-3/h3,7H,1-2H2,(H,8,10,12)
InChIKeyLGADOPXCHLGTQA-UHFFFAOYSA-N
MW169.14 g/mol
LogP-1.96
Rot. Bonds1

About 1-(azetidin-3-yl)imidazolidine-2,4,5-trione

1-(azetidin-3-yl)imidazolidine-2,4,5-trione (PubChem CID 121208937) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 1-(azetidin-3-yl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(azetidin-3-yl)imidazolidine-2,4,5-trione
PubChem CID121208937
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name1-(azetidin-3-yl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(C2CNC2)C1=O
InChIInChI=1S/C6H7N3O3/c10-4-5(11)9(6(12)8-4)3-1-7-2-3/h3,7H,1-2H2,(H,8,10,12)
InChIKeyLGADOPXCHLGTQA-UHFFFAOYSA-N
XLogP-1.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-1.96
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-(azetidin-3-yl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(azetidin-3-yl)imidazolidine-2,4,5-trione (CID 121208937) is 1-(azetidin-3-yl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(azetidin-3-yl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(azetidin-3-yl)imidazolidine-2,4,5-trione is O=C1NC(=O)N(C2CNC2)C1=O.
What is the InChIKey of 1-(azetidin-3-yl)imidazolidine-2,4,5-trione?
The InChIKey is LGADOPXCHLGTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c10-4-5(11)9(6(12)8-4)3-1-7-2-3/h3,7H,1-2H2,(H,8,10,12).
What are the key properties of 1-(azetidin-3-yl)imidazolidine-2,4,5-trione?
1-(azetidin-3-yl)imidazolidine-2,4,5-trione has a molecular weight of 169.14 g/mol, XLogP of -1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 121208937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).