1,2,4,4-tetramethylpyrazolidine-3,5-dione

C7H12N2O2 — CID 45121446

IUPAC1,2,4,4-tetramethylpyrazolidine-3,5-dione
SMILESCN1C(=O)C(C)(C)C(=O)N1C
InChIInChI=1S/C7H12N2O2/c1-7(2)5(10)8(3)9(4)6(7)11/h1-4H3
InChIKeyRDQIUYJBFVIFIX-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.14
Rot. Bonds

About 1,2,4,4-tetramethylpyrazolidine-3,5-dione

1,2,4,4-tetramethylpyrazolidine-3,5-dione (PubChem CID 45121446) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1,2,4,4-tetramethylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name1,2,4,4-tetramethylpyrazolidine-3,5-dione
PubChem CID45121446
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name1,2,4,4-tetramethylpyrazolidine-3,5-dione
SMILESCN1C(=O)C(C)(C)C(=O)N1C
InChIInChI=1S/C7H12N2O2/c1-7(2)5(10)8(3)9(4)6(7)11/h1-4H3
InChIKeyRDQIUYJBFVIFIX-UHFFFAOYSA-N
XLogP-0.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.14
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,4-tetramethylpyrazolidine-3,5-dione?
The IUPAC name of 1,2,4,4-tetramethylpyrazolidine-3,5-dione (CID 45121446) is 1,2,4,4-tetramethylpyrazolidine-3,5-dione.
What is the SMILES notation for 1,2,4,4-tetramethylpyrazolidine-3,5-dione?
The canonical SMILES for 1,2,4,4-tetramethylpyrazolidine-3,5-dione is CN1C(=O)C(C)(C)C(=O)N1C.
What is the InChIKey of 1,2,4,4-tetramethylpyrazolidine-3,5-dione?
The InChIKey is RDQIUYJBFVIFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-7(2)5(10)8(3)9(4)6(7)11/h1-4H3.
What are the key properties of 1,2,4,4-tetramethylpyrazolidine-3,5-dione?
1,2,4,4-tetramethylpyrazolidine-3,5-dione has a molecular weight of 156.18 g/mol, XLogP of -0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,4-tetramethylpyrazolidine-3,5-dione is sourced from PubChem (CID 45121446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).