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1631-26-1

1631-26-1 | 1H-Pyrrole-2,5-dione, 1-(phenylmethyl)-

CAS No: 1631-26-1 Catalog No: AG001TRP MDL No:MFCD00014540

Product Description

Catalog Number:
AG001TRP
Chemical Name:
1H-Pyrrole-2,5-dione, 1-(phenylmethyl)-
CAS Number:
1631-26-1
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD00014540
IUPAC Name:
1-benzylpyrrole-2,5-dione
InChI:
InChI=1S/C11H9NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:
MKRBAPNEJMFMHU-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)N1Cc1ccccc1
EC Number:
216-631-1
NSC Number:
12802

Properties

Complexity:
259  
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:
2  
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Literature

Title Journal
Novel cysteine tags for the sequencing of non-tryptic disulfide peptides of anurans: ESI-MS study of fragmentation efficiency. Journal of the American Society for Mass Spectrometry 20111201
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 and in vitro evaluation of N-substituted maleimide derivatives as selective monoglyceride lipase inhibitors. Journal of medicinal chemistry 20091210
N-Phenyl and N-phenylalkyl-maleimides acting against Candida spp.: time-to-kill, stability, interaction with maleamic acids. Bioorganic & medicinal chemistry 20080101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Alkali ion exchanged Nafion as a confining medium for photochemical reactions. Photochemistry and photobiology 20060101
SAR and 3D-QSAR studies on thiadiazolidinone derivatives: exploration of structural requirements for glycogen synthase kinase 3 inhibitors. Journal of medicinal chemistry 20051117
Diels-alder adducts of 3,6-dibromophencyclone with symmetrical 1,4-disubstituted-cis-2-butenes: comparisons with the adduct of phencyclone and N-benzylmaleimide, and one-dimensional and two-dimensional nuclear magnetic resonance studies and ab initio structure calculations. Applied spectroscopy 20050301

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