1-propan-2-ylpyrazolidine-3,5-dione

C6H10N2O2 — CID 59386642

IUPAC1-propan-2-ylpyrazolidine-3,5-dione
SMILESCC(C)N1NC(=O)CC1=O
InChIInChI=1S/C6H10N2O2/c1-4(2)8-6(10)3-5(9)7-8/h4H,3H2,1-2H3,(H,7,9)
InChIKeyKCKDJWCONXTWRA-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.34
Rot. Bonds1

About 1-propan-2-ylpyrazolidine-3,5-dione

1-propan-2-ylpyrazolidine-3,5-dione (PubChem CID 59386642) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 1-propan-2-ylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name1-propan-2-ylpyrazolidine-3,5-dione
PubChem CID59386642
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name1-propan-2-ylpyrazolidine-3,5-dione
SMILESCC(C)N1NC(=O)CC1=O
InChIInChI=1S/C6H10N2O2/c1-4(2)8-6(10)3-5(9)7-8/h4H,3H2,1-2H3,(H,7,9)
InChIKeyKCKDJWCONXTWRA-UHFFFAOYSA-N
XLogP-0.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.34
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-propan-2-ylpyrazolidine-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-propan-2-ylpyrazolidine-3,5-dione?
The IUPAC name of 1-propan-2-ylpyrazolidine-3,5-dione (CID 59386642) is 1-propan-2-ylpyrazolidine-3,5-dione.
What is the SMILES notation for 1-propan-2-ylpyrazolidine-3,5-dione?
The canonical SMILES for 1-propan-2-ylpyrazolidine-3,5-dione is CC(C)N1NC(=O)CC1=O.
What is the InChIKey of 1-propan-2-ylpyrazolidine-3,5-dione?
The InChIKey is KCKDJWCONXTWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4(2)8-6(10)3-5(9)7-8/h4H,3H2,1-2H3,(H,7,9).
What are the key properties of 1-propan-2-ylpyrazolidine-3,5-dione?
1-propan-2-ylpyrazolidine-3,5-dione has a molecular weight of 142.16 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpyrazolidine-3,5-dione is sourced from PubChem (CID 59386642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).