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
    3.7811   -0.9172   -0.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0564   -0.2158   -0.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6200   -0.2197   -0.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9376   -0.9735   -1.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4619   -0.9248   -1.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1554   -0.1502   -0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4326    0.5933    0.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8980    0.5378    0.6678 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1322    1.3803    1.6057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5088    1.4355    1.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2186    0.6855    0.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5413   -0.0987   -0.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3411   -1.5355   -1.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8756   -0.9264   -0.9481 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5478    0.3952    0.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3983   -1.6082   -1.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0311   -1.5128   -1.8313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5605    1.9569    2.3093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0397    2.0621    2.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3092    0.7243    0.7256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0644   -0.6882   -0.9148 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