3-(2,4-dimethylphenyl)-5,5-dipropylpyrrolidine-2,4-dione

C18H25NO2 — CID 19975272

IUPAC3-(2,4-dimethylphenyl)-5,5-dipropylpyrrolidine-2,4-dione
SMILESCCCC1(CCC)NC(=O)C(c2ccc(C)cc2C)C1=O
InChIInChI=1S/C18H25NO2/c1-5-9-18(10-6-2)16(20)15(17(21)19-18)14-8-7-12(3)11-13(14)4/h7-8,11,15H,5-6,9-10H2,1-4H3,(H,19,21)
InChIKeyQZCWCMCFDPGPDM-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.42
Rot. Bonds5

About 3-(2,4-dimethylphenyl)-5,5-dipropylpyrrolidine-2,4-dione

3-(2,4-dimethylphenyl)-5,5-dipropylpyrrolidine-2,4-dione (PubChem CID 19975272) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-5,5-dipropylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-5,5-dipropylpyrrolidine-2,4-dione
PubChem CID19975272
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name3-(2,4-dimethylphenyl)-5,5-dipropylpyrrolidine-2,4-dione
SMILESCCCC1(CCC)NC(=O)C(c2ccc(C)cc2C)C1=O
InChIInChI=1S/C18H25NO2/c1-5-9-18(10-6-2)16(20)15(17(21)19-18)14-8-7-12(3)11-13(14)4/h7-8,11,15H,5-6,9-10H2,1-4H3,(H,19,21)
InChIKeyQZCWCMCFDPGPDM-UHFFFAOYSA-N
XLogP3.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(2,4-dimethylphenyl)-5,5-dipropylpyrrolidine-2,4-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 3-(2,4-dimethylphenyl)-5,5-dipropylpyrrolidine-2,4-dione?
The IUPAC name of 3-(2,4-dimethylphenyl)-5,5-dipropylpyrrolidine-2,4-dione (CID 19975272) is 3-(2,4-dimethylphenyl)-5,5-dipropylpyrrolidine-2,4-dione.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-5,5-dipropylpyrrolidine-2,4-dione?
The canonical SMILES for 3-(2,4-dimethylphenyl)-5,5-dipropylpyrrolidine-2,4-dione is CCCC1(CCC)NC(=O)C(c2ccc(C)cc2C)C1=O.
What is the InChIKey of 3-(2,4-dimethylphenyl)-5,5-dipropylpyrrolidine-2,4-dione?
The InChIKey is QZCWCMCFDPGPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-5-9-18(10-6-2)16(20)15(17(21)19-18)14-8-7-12(3)11-13(14)4/h7-8,11,15H,5-6,9-10H2,1-4H3,(H,19,21).
What are the key properties of 3-(2,4-dimethylphenyl)-5,5-dipropylpyrrolidine-2,4-dione?
3-(2,4-dimethylphenyl)-5,5-dipropylpyrrolidine-2,4-dione has a molecular weight of 287.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-5,5-dipropylpyrrolidine-2,4-dione is sourced from PubChem (CID 19975272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).