Monomers

2-Vinylquinoline

Identifiers

IUPAC name
2-ethenylquinoline
InchI
InChI=1S/C11H9N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h2-8H,1H2
InchI Key
XUGNJOCQALIQFG-UHFFFAOYSA-N
SMILES
C=Cc1ccc2c(n1)cccc2
Canonical SMILES
C=CC1=NC2=CC=CC=C2C=C1
Isomeric SMILES
C=CC1=NC2=CC=CC=C2C=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H9N
Heavy Atom Count
12
Molecular Weight
155.2
Exact Molecular Weight
155.0735
Valence Electrons
58
Radical Electrons
0
tPSA
12.89
MolLogP
2.8778
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
2

MOL File


     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.0039   -0.4728   -0.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0066    0.3410   -0.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6193    0.0298   -0.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2390   -1.1503    0.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1007   -1.3916    0.7426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0339   -0.4229    0.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6557    0.7576   -0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6377    0.9438   -0.4244 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6276    1.6905   -0.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9697    1.4681   -0.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3368    0.2629    0.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3700   -0.6829    0.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8452   -1.4304    0.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0139   -0.2142   -0.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2115    1.2965   -0.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9791   -1.9084    0.6714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3973   -2.3192    1.2066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3578    2.6260   -0.8938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7432    2.1701   -0.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3603    0.0378    0.7204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6034   -1.6313    1.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
  8  3  1  0
 12  6  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  4 16  1  0
  5 17  1  0
  9 18  1  0
 10 19  1  0
 11 20  1  0
 12 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers