3-(2,4-dimethylphenyl)-5-methyl-5-(2-methylpropyl)pyrrolidine-2,4-dione

C17H23NO2 — CID 22419420

IUPAC3-(2,4-dimethylphenyl)-5-methyl-5-(2-methylpropyl)pyrrolidine-2,4-dione
SMILESCc1ccc(C2C(=O)NC(C)(CC(C)C)C2=O)c(C)c1
InChIInChI=1S/C17H23NO2/c1-10(2)9-17(5)15(19)14(16(20)18-17)13-7-6-11(3)8-12(13)4/h6-8,10,14H,9H2,1-5H3,(H,18,20)
InChIKeyZXUXJUGUFLQKPG-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.89
Rot. Bonds3

About 3-(2,4-dimethylphenyl)-5-methyl-5-(2-methylpropyl)pyrrolidine-2,4-dione

3-(2,4-dimethylphenyl)-5-methyl-5-(2-methylpropyl)pyrrolidine-2,4-dione (PubChem CID 22419420) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-5-methyl-5-(2-methylpropyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-5-methyl-5-(2-methylpropyl)pyrrolidine-2,4-dione
PubChem CID22419420
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-(2,4-dimethylphenyl)-5-methyl-5-(2-methylpropyl)pyrrolidine-2,4-dione
SMILESCc1ccc(C2C(=O)NC(C)(CC(C)C)C2=O)c(C)c1
InChIInChI=1S/C17H23NO2/c1-10(2)9-17(5)15(19)14(16(20)18-17)13-7-6-11(3)8-12(13)4/h6-8,10,14H,9H2,1-5H3,(H,18,20)
InChIKeyZXUXJUGUFLQKPG-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-5-methyl-5-(2-methylpropyl)pyrrolidine-2,4-dione?
The IUPAC name of 3-(2,4-dimethylphenyl)-5-methyl-5-(2-methylpropyl)pyrrolidine-2,4-dione (CID 22419420) is 3-(2,4-dimethylphenyl)-5-methyl-5-(2-methylpropyl)pyrrolidine-2,4-dione.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-5-methyl-5-(2-methylpropyl)pyrrolidine-2,4-dione?
The canonical SMILES for 3-(2,4-dimethylphenyl)-5-methyl-5-(2-methylpropyl)pyrrolidine-2,4-dione is Cc1ccc(C2C(=O)NC(C)(CC(C)C)C2=O)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-5-methyl-5-(2-methylpropyl)pyrrolidine-2,4-dione?
The InChIKey is ZXUXJUGUFLQKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-10(2)9-17(5)15(19)14(16(20)18-17)13-7-6-11(3)8-12(13)4/h6-8,10,14H,9H2,1-5H3,(H,18,20).
What are the key properties of 3-(2,4-dimethylphenyl)-5-methyl-5-(2-methylpropyl)pyrrolidine-2,4-dione?
3-(2,4-dimethylphenyl)-5-methyl-5-(2-methylpropyl)pyrrolidine-2,4-dione has a molecular weight of 273.38 g/mol, XLogP of 2.89, 3 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-methyl-5-(2-methylpropyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 22419420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).