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
   -3.7123    0.3040    0.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0356   -0.7671   -0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5645   -0.6984   -0.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8219   -1.7955   -0.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5503   -1.7131   -0.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1741   -0.4997   -0.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4122    0.5847   -0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9192    0.4434    0.0195 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0111    1.8171    0.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3606    1.9441    0.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1192    0.8542   -0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5429   -0.3565   -0.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7886    0.2859    0.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2127    1.2334    0.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4970   -1.7021   -0.4252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2942   -2.7340   -0.8592 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1969   -2.5298   -0.9604 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3472    2.6375    0.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7915    2.9059    0.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1926    1.0010   -0.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1476   -1.2152   -0.7117 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