3-(4-methoxybenzoyl)-1-methylpyrrolidine-2,5-dione

C13H13NO4 — CID 13167574

IUPAC3-(4-methoxybenzoyl)-1-methylpyrrolidine-2,5-dione
SMILESCOc1ccc(C(=O)C2CC(=O)N(C)C2=O)cc1
InChIInChI=1S/C13H13NO4/c1-14-11(15)7-10(13(14)17)12(16)8-3-5-9(18-2)6-4-8/h3-6,10H,7H2,1-2H3
InChIKeyGOHDZPBFMNPYRL-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.88
Rot. Bonds3

About 3-(4-methoxybenzoyl)-1-methylpyrrolidine-2,5-dione

3-(4-methoxybenzoyl)-1-methylpyrrolidine-2,5-dione (PubChem CID 13167574) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-(4-methoxybenzoyl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-methoxybenzoyl)-1-methylpyrrolidine-2,5-dione
PubChem CID13167574
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name3-(4-methoxybenzoyl)-1-methylpyrrolidine-2,5-dione
SMILESCOc1ccc(C(=O)C2CC(=O)N(C)C2=O)cc1
InChIInChI=1S/C13H13NO4/c1-14-11(15)7-10(13(14)17)12(16)8-3-5-9(18-2)6-4-8/h3-6,10H,7H2,1-2H3
InChIKeyGOHDZPBFMNPYRL-UHFFFAOYSA-N
XLogP0.88
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-methoxybenzoyl)-1-methylpyrrolidine-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

(3R)-3-[1-(4-methoxyphenyl)-1,3-dioxobutan-2-yl]-1-methylpyrrolidine-2,5-dione
CID 139260105
(4-methoxyphenyl)-(1-propan-2-ylaziridin-2-yl)methanone
CID 11830946
2-(4-methoxybenzoyl)(113C)cyclohexan-1-one
CID 102598154
3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 2858584
5,6-dimethoxy-2-(4-methoxybenzoyl)-2,3-dihydroinden-1-one
CID 45101491
(1,4-dimethylpiperazin-2-yl)-(4-methoxyphenyl)methanone
CID 79659060
(3S)-3-(4-methoxy-2-methylphenyl)-1-methylpyrrolidine-2,5-dione
CID 101365658
(3,5-dimethylcyclohexyl)-(4-methoxyphenyl)methanone
CID 64729483
tert-butyl 3-(4-methoxybenzoyl)-4-oxopiperidine-1-carboxylate
CID 139296234
N-(4-methoxyphenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide
CID 135169083
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
3-benzoyl-1-(4-methoxyphenyl)piperidin-2-one
CID 166437081

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybenzoyl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-methoxybenzoyl)-1-methylpyrrolidine-2,5-dione (CID 13167574) is 3-(4-methoxybenzoyl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-methoxybenzoyl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-methoxybenzoyl)-1-methylpyrrolidine-2,5-dione is COc1ccc(C(=O)C2CC(=O)N(C)C2=O)cc1.
What is the InChIKey of 3-(4-methoxybenzoyl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is GOHDZPBFMNPYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-14-11(15)7-10(13(14)17)12(16)8-3-5-9(18-2)6-4-8/h3-6,10H,7H2,1-2H3.
What are the key properties of 3-(4-methoxybenzoyl)-1-methylpyrrolidine-2,5-dione?
3-(4-methoxybenzoyl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 247.25 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybenzoyl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 13167574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).