2-Pyrrolidinecarbonitrile - CAS 5626-49-3

Catalog:	BB029310
Product Name:	2-Pyrrolidinecarbonitrile
CAS:	5626-49-3
Synonyms:	2-pyrrolidinecarbonitrile; pyrrolidine-2-carbonitrile

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	pyrrolidine-2-carbonitrile
Description:	2-Pyrrolidinecarbonitrile (CAS# 5626-49-3) is a useful research chemical.
Molecular Weight:	96.13
Molecular Formula:	C5H8N2
Canonical SMILES:	C1CC(NC1)C#N
InChI:	InChI=1S/C5H8N2/c6-4-5-2-1-3-7-5/h5,7H,1-3H2
InChI Key:	ALSCEGDXFJIYES-UHFFFAOYSA-N
MDL:	MFCD01321092
LogP:	0.59078

Publication Number	Title	Priority Date
WO-2015145467-A1	An improved process for preparing vildagliptin	20140328
WO-2015128718-A1	Novel economic process for vildagliptin	20140228
WO-2015104602-A2	A process for the preparation of anagliptin and its intermediates thereof	20140108
WO-2015092806-A1	An advanced and cost-effective process for preparing highly pure vildagliptin	20131218
WO-2015091156-A1	Sulfoximine substituted pyrrolotriazines for pharmaceutical compositions	20131217

PMID	Publication Date	Title	Journal
22525314	20120515	Acylated Gly-(2-cyano)pyrrolidines as inhibitors of fibroblast activation protein (FAP) and the issue of FAP/prolyl oligopeptidase (PREP)-selectivity	Bioorganic & medicinal chemistry letters
22257212	20120101	Synthesis of novel aza-analogues of tiazofurin with 2-[5,5-bis(hydroxymethyl)pyrrolidin-2-yl] framework as sugar mimic	Nucleosides, nucleotides & nucleic acids
19375196	20090801	Synthesis and evaluation of structurally constrained imidazolidin derivatives as potent dipeptidyl peptidase IV inhibitors	European journal of medicinal chemistry
18602260	20080715	Discovery of conformationally rigid 3-azabicyclo[3.1.0]hexane-derived dipeptidyl peptidase-IV inhibitors	Bioorganic & medicinal chemistry letters
18243000	20080401	Synthesis and structure-activity relationships of potent 4-fluoro-2-cyanopyrrolidine dipeptidyl peptidase IV inhibitors	Bioorganic & medicinal chemistry

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Complexity:	99.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	96.06874826399999
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	96.06874826399999
Rotatable Bond Count:	0
Topological Polar Surface Area:	35.8
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1