1,2-dibutylpyrazolidine-3,5-dione

C11H20N2O2 — CID 135365534

IUPAC1,2-dibutylpyrazolidine-3,5-dione
SMILESCCCCN1C(=O)CC(=O)N1CCCC
InChIInChI=1S/C11H20N2O2/c1-3-5-7-12-10(14)9-11(15)13(12)8-6-4-2/h3-9H2,1-2H3
InChIKeyXWXOYYAQETVLBZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.56
Rot. Bonds6

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

1,2-dibutylpyrazolidine-3,5-dione (PubChem CID 135365534) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1,2-dibutylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name1,2-dibutylpyrazolidine-3,5-dione
PubChem CID135365534
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1,2-dibutylpyrazolidine-3,5-dione
SMILESCCCCN1C(=O)CC(=O)N1CCCC
InChIInChI=1S/C11H20N2O2/c1-3-5-7-12-10(14)9-11(15)13(12)8-6-4-2/h3-9H2,1-2H3
InChIKeyXWXOYYAQETVLBZ-UHFFFAOYSA-N
XLogP1.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.56
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-dibutylpyrazolidine-3,5-dione?
The IUPAC name of 1,2-dibutylpyrazolidine-3,5-dione (CID 135365534) is 1,2-dibutylpyrazolidine-3,5-dione.
What is the SMILES notation for 1,2-dibutylpyrazolidine-3,5-dione?
The canonical SMILES for 1,2-dibutylpyrazolidine-3,5-dione is CCCCN1C(=O)CC(=O)N1CCCC.
What is the InChIKey of 1,2-dibutylpyrazolidine-3,5-dione?
The InChIKey is XWXOYYAQETVLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-5-7-12-10(14)9-11(15)13(12)8-6-4-2/h3-9H2,1-2H3.
What are the key properties of 1,2-dibutylpyrazolidine-3,5-dione?
1,2-dibutylpyrazolidine-3,5-dione has a molecular weight of 212.29 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibutylpyrazolidine-3,5-dione is sourced from PubChem (CID 135365534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).