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Home Other Building Blocks 5-benzyl-2-pyrrolidinone

5-benzyl-2-pyrrolidinone

CAS No.:
14293-06-2
Catalog Number:
AG00A48A
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
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Product Description
Catalog Number:
AG00A48A
Chemical Name:
5-benzyl-2-pyrrolidinone
CAS Number:
14293-06-2
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD01759457
IUPAC Name:
5-benzylpyrrolidin-2-one
InChI:
InChI=1S/C11H13NO/c13-11-7-6-10(12-11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)
InChI Key:
UJTLWBQZNAXBAQ-UHFFFAOYSA-N
SMILES:
O=C1CCC(N1)Cc1ccccc1
NSC Number:
248018
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
In vitro activity of 5-(2,4-dimethylbenzyl) pyrrolidin-2-one extracted from marine Streptomyces VITSVK5 spp. against fungal and bacterial human pathogens. Revista iberoamericana de micologia 20120101
Interaction of 5-(2, 4-dimethylbenzyl) pyrrolidin-2-one with selected antifungal drug target enzymes by in silico molecular docking studies. Interdisciplinary sciences, computational life sciences 20110901
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
Properties