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
    3.9447    0.7741   -0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368   -0.0635    0.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6344    0.1218    0.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1647    1.1699   -0.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2167    1.2528   -0.8356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1081    0.3252   -0.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5806   -0.7109    0.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7461   -0.7958    0.6065 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4542   -1.6671    0.8952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8075   -1.5618    0.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3555   -0.5306   -0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4667    0.4030   -0.5669 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0180    0.6150    0.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6745    1.6246   -0.5921 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548   -0.9433    1.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8113    1.9311   -1.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5661    2.0869   -1.4174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0635   -2.4975    1.4799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5148   -2.3085    1.0530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4244   -0.4588   -0.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8271    1.2334   -1.1477 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