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
    3.9655   -0.2854    0.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9199   -0.8085   -0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5901   -0.3045   -0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3676    0.7677    0.8167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0514    1.1997    0.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9778    0.5686    0.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7168   -0.5118   -0.5155 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5471   -0.9166   -0.6502 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7616   -1.1409   -1.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0746   -0.7379   -1.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3360    0.3392   -0.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2954    0.9658    0.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9797   -0.6707    0.2072 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9369    0.5602    1.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0668   -1.6555   -0.8643 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1650    1.2987    1.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1557    2.0482    1.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5734   -1.9884   -1.8219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8874   -1.2438   -1.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3412    0.6959   -0.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4700    1.8200    1.0846 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