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

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
    3.4062   -0.0757    1.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0741   -0.3959    0.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6656   -0.3099   -0.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.6426   -1.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0280   -0.5419   -1.7989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9419   -0.1135   -0.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5499    0.2148    0.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7490    0.1057    0.7239 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4734    0.6535    1.3679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8042    0.7610    1.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1933    0.4326   -0.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3006    0.0058   -1.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6528    0.2568    2.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4189   -0.1234    1.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8318   -0.7221   -0.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0426   -0.9706   -2.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3829   -0.7898   -2.7943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1152    0.8997    2.3592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5510    1.1031    1.7650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2415    0.5164   -0.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583   -0.2641   -2.1986 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