Home Nitriles Pyrrolidine-1-carbonitrile

Pyrrolidine-1-carbonitrile

CAS No.:
1530-88-7
Catalog Number:
AG007J8I
Molecular Formula:
C5H8N2
Molecular Weight:
96.1304
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$97
- +
5g
95%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG007J8I
Chemical Name:
Pyrrolidine-1-carbonitrile
CAS Number:
1530-88-7
Molecular Formula:
C5H8N2
Molecular Weight:
96.1304
MDL Number:
MFCD00003165
IUPAC Name:
pyrrolidine-1-carbonitrile
InChI:
InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2
InChI Key:
QJRYYOWARFCJQZ-UHFFFAOYSA-N
SMILES:
N#CN1CCCC1
EC Number:
216-234-3
NSC Number:
44225
Properties
Complexity:
93.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.069g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.133g/mol
Monoisotopic Mass:
96.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Identification of diverse dipeptidyl peptidase IV inhibitors via structure-based virtual screening. Journal of molecular modeling 20120901
Saxagliptin for type 2 diabetes. Diabetes, metabolic syndrome and obesity : targets and therapy 20100101
Potent non-nitrile dipeptidic dipeptidyl peptidase IV inhibitors. Bioorganic & medicinal chemistry letters 20071201
Acyclic cyanamide-based inhibitors of cathepsin K. Bioorganic & medicinal chemistry letters 20050615
Novel and potent cyclic cyanamide-based cathepsin K inhibitors. Bioorganic & medicinal chemistry letters 20050401
Peptidic 1-cyanopyrrolidines: synthesis and SAR of a series of potent, selective cathepsin inhibitors. Bioorganic & medicinal chemistry 20021001
Novel, nonpeptidic cyanamides as potent and reversible inhibitors of human cathepsins K and L. Journal of medicinal chemistry 20010104
Properties