1-hydroxypyrazolidine-3,5-dione

C3H4N2O3 — CID 67060826

IUPAC1-hydroxypyrazolidine-3,5-dione
SMILESO=C1CC(=O)N(O)N1
InChIInChI=1S/C3H4N2O3/c6-2-1-3(7)5(8)4-2/h8H,1H2,(H,4,6)
InChIKeyWLZICQUYLUEBHL-UHFFFAOYSA-N
MW116.08 g/mol
LogP-1.36
Rot. Bonds

About 1-hydroxypyrazolidine-3,5-dione

1-hydroxypyrazolidine-3,5-dione (PubChem CID 67060826) has the molecular formula C3H4N2O3 and a molecular weight of 116.08 g/mol. Its IUPAC name is 1-hydroxypyrazolidine-3,5-dione.

Molecular Properties

Compound Name1-hydroxypyrazolidine-3,5-dione
PubChem CID67060826
Molecular FormulaC3H4N2O3
Molecular Weight116.08 g/mol
Exact Mass116.02
IUPAC Name1-hydroxypyrazolidine-3,5-dione
SMILESO=C1CC(=O)N(O)N1
InChIInChI=1S/C3H4N2O3/c6-2-1-3(7)5(8)4-2/h8H,1H2,(H,4,6)
InChIKeyWLZICQUYLUEBHL-UHFFFAOYSA-N
XLogP-1.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.08
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrazolidine-3,5-dione?
The IUPAC name of 1-hydroxypyrazolidine-3,5-dione (CID 67060826) is 1-hydroxypyrazolidine-3,5-dione.
What is the SMILES notation for 1-hydroxypyrazolidine-3,5-dione?
The canonical SMILES for 1-hydroxypyrazolidine-3,5-dione is O=C1CC(=O)N(O)N1.
What is the InChIKey of 1-hydroxypyrazolidine-3,5-dione?
The InChIKey is WLZICQUYLUEBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O3/c6-2-1-3(7)5(8)4-2/h8H,1H2,(H,4,6).
What are the key properties of 1-hydroxypyrazolidine-3,5-dione?
1-hydroxypyrazolidine-3,5-dione has a molecular weight of 116.08 g/mol, XLogP of -1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrazolidine-3,5-dione is sourced from PubChem (CID 67060826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).