1,2-dimethylpyrazolidine-3,4-dione

C5H8N2O2 — CID 22757021

IUPAC1,2-dimethylpyrazolidine-3,4-dione
SMILESCN1CC(=O)C(=O)N1C
InChIInChI=1S/C5H8N2O2/c1-6-3-4(8)5(9)7(6)2/h3H2,1-2H3
InChIKeyDPSJLMXUMKWHGP-UHFFFAOYSA-N
MW128.13 g/mol
LogP-1.13
Rot. Bonds

About 1,2-dimethylpyrazolidine-3,4-dione

1,2-dimethylpyrazolidine-3,4-dione (PubChem CID 22757021) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 1,2-dimethylpyrazolidine-3,4-dione.

Molecular Properties

Compound Name1,2-dimethylpyrazolidine-3,4-dione
PubChem CID22757021
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name1,2-dimethylpyrazolidine-3,4-dione
SMILESCN1CC(=O)C(=O)N1C
InChIInChI=1S/C5H8N2O2/c1-6-3-4(8)5(9)7(6)2/h3H2,1-2H3
InChIKeyDPSJLMXUMKWHGP-UHFFFAOYSA-N
XLogP-1.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-1.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyrazolidine-3,4-dione?
The IUPAC name of 1,2-dimethylpyrazolidine-3,4-dione (CID 22757021) is 1,2-dimethylpyrazolidine-3,4-dione.
What is the SMILES notation for 1,2-dimethylpyrazolidine-3,4-dione?
The canonical SMILES for 1,2-dimethylpyrazolidine-3,4-dione is CN1CC(=O)C(=O)N1C.
What is the InChIKey of 1,2-dimethylpyrazolidine-3,4-dione?
The InChIKey is DPSJLMXUMKWHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-6-3-4(8)5(9)7(6)2/h3H2,1-2H3.
What are the key properties of 1,2-dimethylpyrazolidine-3,4-dione?
1,2-dimethylpyrazolidine-3,4-dione has a molecular weight of 128.13 g/mol, XLogP of -1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyrazolidine-3,4-dione is sourced from PubChem (CID 22757021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).