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
    3.9896    0.0936    0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9486    0.8666    0.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6124    0.3018    0.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3252   -1.0350    0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0468   -1.5560   -0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0066   -0.6804   -0.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7115    0.6640   -0.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5326    1.1417    0.0950 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7551    1.5941   -0.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0436    1.1294   -0.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3281   -0.2180   -0.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3196   -1.1423   -0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9029   -0.9653    0.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9663    0.5291    0.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0902    1.9488    0.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1361   -1.7564    0.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1609   -2.5979   -0.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5130    2.6470   -0.0879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8716    1.8412   -0.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3432   -0.5840   -0.5049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4975   -2.2218   -0.3485 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