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
    4.0205   -0.1580    0.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9155   -0.8613    0.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5839   -0.2769    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4002    1.0868    0.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0863    1.5448    0.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9808    0.6729   -0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7380   -0.6843   -0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5289   -1.1146    0.0034 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7981   -1.5675   -0.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0901   -1.0930   -0.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3560    0.2588   -0.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2847    1.1183   -0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9773   -0.6509    0.4328 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0270    0.9402    0.4097 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0347   -1.9549    0.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2055    1.7890    0.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1285    2.6082    0.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6282   -2.6229   -0.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9279   -1.7952   -0.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3823    0.5862   -0.3808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4654    2.1743   -0.1389 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