Home Other Building Blocks 1H-Pyrrole-2,5-dione, 1-(4-methylphenyl)-

1H-Pyrrole-2,5-dione, 1-(4-methylphenyl)-

CAS No.:
1631-28-3
Catalog Number:
AG001TRO
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
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Product Description
Catalog Number:
AG001TRO
Chemical Name:
1H-Pyrrole-2,5-dione, 1-(4-methylphenyl)-
CAS Number:
1631-28-3
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD00022581
IUPAC Name:
1-(4-methylphenyl)pyrrole-2,5-dione
InChI:
InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-7H,1H3
InChI Key:
KCFXNGDHQPMIAQ-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)N1c1ccc(cc1)C
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Antifungal, cytotoxic and SAR studies of a series of N-alkyl, N-aryl and N-alkylphenyl-1,4-pyrrolediones and related compounds. Bioorganic & medicinal chemistry 20110501
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Synthesis of new azo compounds based on N-(4-hydroxypheneyl)maleimide and N-(4-methylpheneyl)maleimide. Molecules (Basel, Switzerland) 20101025
Synthesis and in vitro evaluation of N-substituted maleimide derivatives as selective monoglyceride lipase inhibitors. Journal of medicinal chemistry 20091210
Properties