1,2-diethylpyrazolidine-3,5-dione

C7H12N2O2 — CID 22287697

IUPAC1,2-diethylpyrazolidine-3,5-dione
SMILESCCN1C(=O)CC(=O)N1CC
InChIInChI=1S/C7H12N2O2/c1-3-8-6(10)5-7(11)9(8)4-2/h3-5H2,1-2H3
InChIKeyLEDXVVSZBQRIKT-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.00
Rot. Bonds2

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

1,2-diethylpyrazolidine-3,5-dione (PubChem CID 22287697) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1,2-diethylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name1,2-diethylpyrazolidine-3,5-dione
PubChem CID22287697
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name1,2-diethylpyrazolidine-3,5-dione
SMILESCCN1C(=O)CC(=O)N1CC
InChIInChI=1S/C7H12N2O2/c1-3-8-6(10)5-7(11)9(8)4-2/h3-5H2,1-2H3
InChIKeyLEDXVVSZBQRIKT-UHFFFAOYSA-N
XLogP0.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.00
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-diethylpyrazolidine-3,5-dione?
The IUPAC name of 1,2-diethylpyrazolidine-3,5-dione (CID 22287697) is 1,2-diethylpyrazolidine-3,5-dione.
What is the SMILES notation for 1,2-diethylpyrazolidine-3,5-dione?
The canonical SMILES for 1,2-diethylpyrazolidine-3,5-dione is CCN1C(=O)CC(=O)N1CC.
What is the InChIKey of 1,2-diethylpyrazolidine-3,5-dione?
The InChIKey is LEDXVVSZBQRIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-8-6(10)5-7(11)9(8)4-2/h3-5H2,1-2H3.
What are the key properties of 1,2-diethylpyrazolidine-3,5-dione?
1,2-diethylpyrazolidine-3,5-dione has a molecular weight of 156.19 g/mol, XLogP of 0.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethylpyrazolidine-3,5-dione is sourced from PubChem (CID 22287697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).