1-ethyl-4,4-dimethylpyrazolidine-3,5-dione

C7H12N2O2 — CID 59170288

IUPAC1-ethyl-4,4-dimethylpyrazolidine-3,5-dione
SMILESCCN1NC(=O)C(C)(C)C1=O
InChIInChI=1S/C7H12N2O2/c1-4-9-6(11)7(2,3)5(10)8-9/h4H2,1-3H3,(H,8,10)
InChIKeyZJIUMLREFFFPNW-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.09
Rot. Bonds1

About 1-ethyl-4,4-dimethylpyrazolidine-3,5-dione

1-ethyl-4,4-dimethylpyrazolidine-3,5-dione (PubChem CID 59170288) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-ethyl-4,4-dimethylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name1-ethyl-4,4-dimethylpyrazolidine-3,5-dione
PubChem CID59170288
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name1-ethyl-4,4-dimethylpyrazolidine-3,5-dione
SMILESCCN1NC(=O)C(C)(C)C1=O
InChIInChI=1S/C7H12N2O2/c1-4-9-6(11)7(2,3)5(10)8-9/h4H2,1-3H3,(H,8,10)
InChIKeyZJIUMLREFFFPNW-UHFFFAOYSA-N
XLogP-0.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
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-ethyl-4,4-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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,4-dimethylpyrazolidine-3,5-dione?
The IUPAC name of 1-ethyl-4,4-dimethylpyrazolidine-3,5-dione (CID 59170288) is 1-ethyl-4,4-dimethylpyrazolidine-3,5-dione.
What is the SMILES notation for 1-ethyl-4,4-dimethylpyrazolidine-3,5-dione?
The canonical SMILES for 1-ethyl-4,4-dimethylpyrazolidine-3,5-dione is CCN1NC(=O)C(C)(C)C1=O.
What is the InChIKey of 1-ethyl-4,4-dimethylpyrazolidine-3,5-dione?
The InChIKey is ZJIUMLREFFFPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-4-9-6(11)7(2,3)5(10)8-9/h4H2,1-3H3,(H,8,10).
What are the key properties of 1-ethyl-4,4-dimethylpyrazolidine-3,5-dione?
1-ethyl-4,4-dimethylpyrazolidine-3,5-dione has a molecular weight of 156.18 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,4-dimethylpyrazolidine-3,5-dione is sourced from PubChem (CID 59170288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).