sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 1-Benzyl-2-pyrrolidinone

1-Benzyl-2-pyrrolidinone

CAS No.:
5291-77-0
Catalog Number:
AG003E0N
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$19
- +
25g
98%
In Stock USA
United States
$44
- +
100g
98%
In Stock USA
United States
$99
- +
500g
98%
In Stock USA
United States
$332
- +
Product Description
Catalog Number:
AG003E0N
Chemical Name:
1-Benzyl-2-pyrrolidinone
CAS Number:
5291-77-0
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD00003195
IUPAC Name:
1-benzylpyrrolidin-2-one
InChI:
InChI=1S/C11H13NO/c13-11-7-4-8-12(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChI Key:
LVUQCTGSDJLWCE-UHFFFAOYSA-N
SMILES:
O=C1CCCN1Cc1ccccc1
EC Number:
226-131-5
NSC Number:
30184
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:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Toward prediction of alkane/water partition coefficients. Journal of medicinal chemistry 20080710
Purification and characterization of alcohol dehydrogenase reducing N-benzyl-3-pyrrolidinone from Geotrichum capitatum. Journal of bioscience and bioengineering 20070201
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
SAR and 3D-QSAR studies on thiadiazolidinone derivatives: exploration of structural requirements for glycogen synthase kinase 3 inhibitors. Journal of medicinal chemistry 20051117
Properties