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Home Other Building Blocks 1-Propyl-1H-pyrrole-2,5-dione

1-Propyl-1H-pyrrole-2,5-dione

CAS No.:
21746-40-7
Catalog Number:
AG003TBZ
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
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Product Description
Catalog Number:
AG003TBZ
Chemical Name:
1-Propyl-1H-pyrrole-2,5-dione
CAS Number:
21746-40-7
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD00014541
IUPAC Name:
1-propylpyrrole-2,5-dione
InChI:
InChI=1S/C7H9NO2/c1-2-5-8-6(9)3-4-7(8)10/h3-4H,2,5H2,1H3
InChI Key:
DABFKTHTXOELJF-UHFFFAOYSA-N
SMILES:
CCCN1C(=O)C=CC1=O
EC Number:
244-564-8
NSC Number:
92549
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Direct synthesis of aqueous quantum dots through 4,4'-bipyridine-based twin ligand strategy. Inorganic chemistry 20120416
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
Organic reactions promoted by mucin glycoproteins. Journal of the American Chemical Society 20090902
Diels-alder adducts of 3,6-dibromophencyclone with short-chain N-n-alkylmaleimides: 1H and 13C nuclear magnetic resonance studies of hindered rotations and magnetic anisotropy, and ab initio calculations for optimized structures. Applied spectroscopy 20050301
Properties