5-propan-2-yl-3-(2,3,6-trimethylphenyl)pyrrolidine-2,4-dione

C16H21NO2 — CID 19785892

IUPAC5-propan-2-yl-3-(2,3,6-trimethylphenyl)pyrrolidine-2,4-dione
SMILESCc1ccc(C)c(C2C(=O)NC(C(C)C)C2=O)c1C
InChIInChI=1S/C16H21NO2/c1-8(2)14-15(18)13(16(19)17-14)12-10(4)7-6-9(3)11(12)5/h6-8,13-14H,1-5H3,(H,17,19)
InChIKeyIMFUWWTWXFYRQU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.42
Rot. Bonds2

About 5-propan-2-yl-3-(2,3,6-trimethylphenyl)pyrrolidine-2,4-dione

5-propan-2-yl-3-(2,3,6-trimethylphenyl)pyrrolidine-2,4-dione (PubChem CID 19785892) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-propan-2-yl-3-(2,3,6-trimethylphenyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name5-propan-2-yl-3-(2,3,6-trimethylphenyl)pyrrolidine-2,4-dione
PubChem CID19785892
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name5-propan-2-yl-3-(2,3,6-trimethylphenyl)pyrrolidine-2,4-dione
SMILESCc1ccc(C)c(C2C(=O)NC(C(C)C)C2=O)c1C
InChIInChI=1S/C16H21NO2/c1-8(2)14-15(18)13(16(19)17-14)12-10(4)7-6-9(3)11(12)5/h6-8,13-14H,1-5H3,(H,17,19)
InChIKeyIMFUWWTWXFYRQU-UHFFFAOYSA-N
XLogP2.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-propan-2-yl-3-(2,3,6-trimethylphenyl)pyrrolidine-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 5-propan-2-yl-3-(2,3,6-trimethylphenyl)pyrrolidine-2,4-dione?
The IUPAC name of 5-propan-2-yl-3-(2,3,6-trimethylphenyl)pyrrolidine-2,4-dione (CID 19785892) is 5-propan-2-yl-3-(2,3,6-trimethylphenyl)pyrrolidine-2,4-dione.
What is the SMILES notation for 5-propan-2-yl-3-(2,3,6-trimethylphenyl)pyrrolidine-2,4-dione?
The canonical SMILES for 5-propan-2-yl-3-(2,3,6-trimethylphenyl)pyrrolidine-2,4-dione is Cc1ccc(C)c(C2C(=O)NC(C(C)C)C2=O)c1C.
What is the InChIKey of 5-propan-2-yl-3-(2,3,6-trimethylphenyl)pyrrolidine-2,4-dione?
The InChIKey is IMFUWWTWXFYRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-8(2)14-15(18)13(16(19)17-14)12-10(4)7-6-9(3)11(12)5/h6-8,13-14H,1-5H3,(H,17,19).
What are the key properties of 5-propan-2-yl-3-(2,3,6-trimethylphenyl)pyrrolidine-2,4-dione?
5-propan-2-yl-3-(2,3,6-trimethylphenyl)pyrrolidine-2,4-dione has a molecular weight of 259.35 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-(2,3,6-trimethylphenyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 19785892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).