1,2-dimethylpyrazolidine-3,5-dione

C5H8N2O2 — CID 12706755

IUPAC1,2-dimethylpyrazolidine-3,5-dione
SMILESCN1C(=O)CC(=O)N1C
InChIInChI=1S/C5H8N2O2/c1-6-4(8)3-5(9)7(6)2/h3H2,1-2H3
InChIKeyOCKYCCVSWVDVAL-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.78
Rot. Bonds

About 1,2-dimethylpyrazolidine-3,5-dione

1,2-dimethylpyrazolidine-3,5-dione (PubChem CID 12706755) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 1,2-dimethylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name1,2-dimethylpyrazolidine-3,5-dione
PubChem CID12706755
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name1,2-dimethylpyrazolidine-3,5-dione
SMILESCN1C(=O)CC(=O)N1C
InChIInChI=1S/C5H8N2O2/c1-6-4(8)3-5(9)7(6)2/h3H2,1-2H3
InChIKeyOCKYCCVSWVDVAL-UHFFFAOYSA-N
XLogP-0.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2-dimethylpyrazolidine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-Dimethylpyrazolidinone
CID 15173886
1,2,4,4-Tetramethylpyrazolidin-3-one
CID 54403785
1,2-Dipropylpyrazolidine-3,5-dione
CID 9899023
1-Acetyl-2-methylpyrazolidin-3-one
CID 18183469
1,2,4-Trimethyl-3,5-pyrazolidinedione
CID 18725070
1,2,4-Trimethylpyrazolidin-3-one
CID 21817258
1,2-Diethylpyrazolidin-3-one
CID 21817259
1,2-Diethylpyrazolidine-3,5-dione
CID 22287697
1,2-Dimethylpyrazolidine-3,4-dione
CID 22757021
1,2-Diacetylpyrazolidin-3-one
CID 45086530
1,2,4,4-Tetramethyl-3,5-pyrazolidinedione
CID 45121446
2-Methylpyrazolidin-1-id-3-one;rubidium(1+)
CID 58618944

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyrazolidine-3,5-dione?
The IUPAC name of 1,2-dimethylpyrazolidine-3,5-dione (CID 12706755) is 1,2-dimethylpyrazolidine-3,5-dione.
What is the SMILES notation for 1,2-dimethylpyrazolidine-3,5-dione?
The canonical SMILES for 1,2-dimethylpyrazolidine-3,5-dione is CN1C(=O)CC(=O)N1C.
What is the InChIKey of 1,2-dimethylpyrazolidine-3,5-dione?
The InChIKey is OCKYCCVSWVDVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-6-4(8)3-5(9)7(6)2/h3H2,1-2H3.
What are the key properties of 1,2-dimethylpyrazolidine-3,5-dione?
1,2-dimethylpyrazolidine-3,5-dione has a molecular weight of 128.13 g/mol, XLogP of -0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyrazolidine-3,5-dione is sourced from PubChem (CID 12706755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).