Home Nitriles (Z)-3-(1H-indol-3-yl)acrylonitrile

(Z)-3-(1H-indol-3-yl)acrylonitrile

CAS No.:
85452-79-5
Catalog Number:
AG00GA4N
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00GA4N
Chemical Name:
(Z)-3-(1H-indol-3-yl)acrylonitrile
CAS Number:
85452-79-5
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
MDL Number:
MFCD28125617
IUPAC Name:
(Z)-3-(1H-indol-3-yl)prop-2-enenitrile
InChI:
InChI=1S/C11H8N2/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-6,8,13H/b4-3-
InChI Key:
GQCABHQDRZQIOP-ARJAWSKDSA-N
SMILES:
N#C/C=C\c1c[nH]c2c1cccc2
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
168.069g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.199g/mol
Monoisotopic Mass:
168.069g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Tryptophan 2,3-dioxygenase (TDO) inhibitors. 3-(2-(pyridyl)ethenyl)indoles as potential anticancer immunomodulators. Journal of medicinal chemistry 20110811
Properties