1,2-dipentylpyrazolidine-3,5-dione

C13H24N2O2 — CID 66709657

IUPAC1,2-dipentylpyrazolidine-3,5-dione
SMILESCCCCCN1C(=O)CC(=O)N1CCCCC
InChIInChI=1S/C13H24N2O2/c1-3-5-7-9-14-12(16)11-13(17)15(14)10-8-6-4-2/h3-11H2,1-2H3
InChIKeyNZIZGIVPGQBIGG-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.34
Rot. Bonds8

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

1,2-dipentylpyrazolidine-3,5-dione (PubChem CID 66709657) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1,2-dipentylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name1,2-dipentylpyrazolidine-3,5-dione
PubChem CID66709657
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1,2-dipentylpyrazolidine-3,5-dione
SMILESCCCCCN1C(=O)CC(=O)N1CCCCC
InChIInChI=1S/C13H24N2O2/c1-3-5-7-9-14-12(16)11-13(17)15(14)10-8-6-4-2/h3-11H2,1-2H3
InChIKeyNZIZGIVPGQBIGG-UHFFFAOYSA-N
XLogP2.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.34
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1,2-dipentylpyrazolidine-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 1,2-dipentylpyrazolidine-3,5-dione?
The IUPAC name of 1,2-dipentylpyrazolidine-3,5-dione (CID 66709657) is 1,2-dipentylpyrazolidine-3,5-dione.
What is the SMILES notation for 1,2-dipentylpyrazolidine-3,5-dione?
The canonical SMILES for 1,2-dipentylpyrazolidine-3,5-dione is CCCCCN1C(=O)CC(=O)N1CCCCC.
What is the InChIKey of 1,2-dipentylpyrazolidine-3,5-dione?
The InChIKey is NZIZGIVPGQBIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-5-7-9-14-12(16)11-13(17)15(14)10-8-6-4-2/h3-11H2,1-2H3.
What are the key properties of 1,2-dipentylpyrazolidine-3,5-dione?
1,2-dipentylpyrazolidine-3,5-dione has a molecular weight of 240.35 g/mol, XLogP of 2.34, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dipentylpyrazolidine-3,5-dione is sourced from PubChem (CID 66709657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).