(3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione

C12H13NO2 — CID 124672804

IUPAC(3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)C[C@H](C)C2=O)cc1
InChIInChI=1S/C12H13NO2/c1-8-3-5-10(6-4-8)13-11(14)7-9(2)12(13)15/h3-6,9H,7H2,1-2H3/t9-/m0/s1
InChIKeyNREDJMOKZIWDQO-VIFPVBQESA-N
MW203.24 g/mol
LogP1.89
Rot. Bonds1

About (3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione

(3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 124672804) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
PubChem CID124672804
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)C[C@H](C)C2=O)cc1
InChIInChI=1S/C12H13NO2/c1-8-3-5-10(6-4-8)13-11(14)7-9(2)12(13)15/h3-6,9H,7H2,1-2H3/t9-/m0/s1
InChIKeyNREDJMOKZIWDQO-VIFPVBQESA-N
XLogP1.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 7829632
5-ethenylidene-3-methyl-1-(4-methylphenyl)pyrrolidin-2-one
CID 170744826
1-(4-bromo-3-methylphenyl)-3-methylpyrrolidine-2,5-dione
CID 55139506
2-[4-(3-methyl-2,5-dioxopyrrolidin-1-yl)phenyl]acetic acid
CID 54905077
3-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 3139865
3-methyl-1-(4-propylphenyl)pyrrolidine-2,5-dione;nonane
CID 163496658
3-methyl-1-[4-(3-methyl-2-oxobutyl)phenyl]pyrrolidine-2,5-dione
CID 126704529
3-(tert-butylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 71669968
1-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione
CID 117062890
2-methyl-N-[4-(3-methyl-2,5-dioxopyrrolidin-1-yl)phenyl]propanamide
CID 121480765
1-(3,5-diaminophenyl)-3-methylpyrrolidine-2,5-dione
CID 70669514
1-(3-amino-4-ethylphenyl)-3-methylpyrrolidine-2,5-dione
CID 54905545

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione (CID 124672804) is (3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)C[C@H](C)C2=O)cc1.
What is the InChIKey of (3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is NREDJMOKZIWDQO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-3-5-10(6-4-8)13-11(14)7-9(2)12(13)15/h3-6,9H,7H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione?
(3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 203.24 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 124672804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).