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Home Nitriles 3-(1H-Indol-3-yl)-3-oxopropanenitrile

3-(1H-Indol-3-yl)-3-oxopropanenitrile

CAS No.:
20356-45-0
Catalog Number:
AG0028YR
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(GC)
1 week
United States
$321
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Product Description
Catalog Number:
AG0028YR
Chemical Name:
3-(1H-Indol-3-yl)-3-oxopropanenitrile
CAS Number:
20356-45-0
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
MDL Number:
MFCD04610443
IUPAC Name:
3-(1H-indol-3-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C11H8N2O/c12-6-5-11(14)9-7-13-10-4-2-1-3-8(9)10/h1-4,7,13H,5H2
InChI Key:
KSKBLDDGNWKWKN-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1c[nH]c2c1cccc2
Properties
Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
4-(4-Chloro-phen-yl)-2,6-bis-(1H-indol-3-yl)-1,4-dihydro-pyridine-3,5-dicarbo-nitrile ethanol monosolvate. Acta crystallographica. Section E, Structure reports online 20120501
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
InCl3 mediated one-pot multicomponent synthesis, anti-microbial, antioxidant and anticancer evaluation of 3-pyranyl indole derivatives. Bioorganic & medicinal chemistry letters 20100901
Simple and convenient approach to the Kreohnke pyridine type synthesis of functionalized indol-3-yl pyridine derivatives using 3-cyanoacetyl indole. Journal of combinatorial chemistry 20100101
6-(1H-Indol-3-yl)-4-phenyl-2,2'-bi-pyridine-5-carbonitrile. Acta crystallographica. Section E, Structure reports online 20090601
2-(1H-indol-3-ylcarbon-yl)acetonitrile. Acta crystallographica. Section E, Structure reports online 20090301
4-(4-Bromo-phen-yl)-6-(1H-indol-3-yl)-2,2'-bipyridine-5-carbonitrile. Acta crystallographica. Section E, Structure reports online 20090301
4-(2,4-Dichlorophenyl)-2-(1H-indol-3-yl)-6-(2-pyridyl)-1,4-dihydropyridine-4-carbonitrile. Acta crystallographica. Section E, Structure reports online 20081001
4-(2,4-Dichlorophenyl)-2-(1H-indol-3-yl)-6-methoxypyridine-3,5-dicarbonitrile. Acta crystallographica. Section E, Structure reports online 20081001
Synthesis and biological evaluation of new 3-substituted indole derivatives as potential anti-inflammatory and analgesic agents. Bioorganic & medicinal chemistry 20070601
Synthesis and antitumor activity of indolylpyrimidines: marine natural product meridianin D analogues. Bioorganic & medicinal chemistry 20070201
Properties