3-(4-methoxyphenyl)-3-methylpyrrolidine-2,5-dione

C12H13NO3 — CID 590575

IUPAC3-(4-methoxyphenyl)-3-methylpyrrolidine-2,5-dione
SMILESCOc1ccc(C2(C)CC(=O)NC2=O)cc1
InChIInChI=1S/C12H13NO3/c1-12(7-10(14)13-11(12)15)8-3-5-9(16-2)6-4-8/h3-6H,7H2,1-2H3,(H,13,14,15)
InChIKeySRYDZQRKZLMKRO-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.00
Rot. Bonds2

About 3-(4-methoxyphenyl)-3-methylpyrrolidine-2,5-dione

3-(4-methoxyphenyl)-3-methylpyrrolidine-2,5-dione (PubChem CID 590575) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-methylpyrrolidine-2,5-dione
PubChem CID590575
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name3-(4-methoxyphenyl)-3-methylpyrrolidine-2,5-dione
SMILESCOc1ccc(C2(C)CC(=O)NC2=O)cc1
InChIInChI=1S/C12H13NO3/c1-12(7-10(14)13-11(12)15)8-3-5-9(16-2)6-4-8/h3-6H,7H2,1-2H3,(H,13,14,15)
InChIKeySRYDZQRKZLMKRO-UHFFFAOYSA-N
XLogP1.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Methoxyphenyl)acetamide
CID 241868
2,5-Pyrrolidinedione, 3-(4-(1-methylethoxy)phenyl)-
CID 214258
2-(4-methoxyphenyl)-N-pentylacetamide
CID 653397
Succinimide, 2,2'-((pentamethylenedioxy)di-p-phenylene)di-
CID 3071136
3,4-Bis(4-methoxyphenyl)pyrrole-2,5-dione
CID 10946795
1-(4-methoxyphenyl)-N-(2-phenylethyl)cyclopentanecarboxamide
CID 976659
3-(4-Heptyloxy-phenyl)-1-methyl-pyrrolidine-2,5-dione
CID 3095544
1-Methyl-3-[4-(3-methylbutoxy)phenyl]pyrrolidine-2,5-dione
CID 3100539
3-(4-Isopropoxy-phenyl)-1-methyl-pyrrolidine-2,5-dione
CID 3105271
4-(4-Isopropoxyphenyl)pyrrolidin-2-one
CID 3112940
4-(4-Methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
CID 268228
3-(4-Ethoxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione
CID 584360

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-methoxyphenyl)-3-methylpyrrolidine-2,5-dione (CID 590575) is 3-(4-methoxyphenyl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-methoxyphenyl)-3-methylpyrrolidine-2,5-dione is COc1ccc(C2(C)CC(=O)NC2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is SRYDZQRKZLMKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-12(7-10(14)13-11(12)15)8-3-5-9(16-2)6-4-8/h3-6H,7H2,1-2H3,(H,13,14,15).
What are the key properties of 3-(4-methoxyphenyl)-3-methylpyrrolidine-2,5-dione?
3-(4-methoxyphenyl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 219.24 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 590575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).