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
    3.7424   -0.9301    1.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6445   -1.4250    0.7338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4350   -0.6752    0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3873    0.6719    0.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2389    1.4103    0.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8314    0.7321   -0.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7692   -0.6224   -0.3946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3441   -1.2885   -0.1074 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8609   -1.3084   -0.9437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0225   -0.6464   -1.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0758    0.7102   -0.9991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0078    1.3959   -0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6021   -1.5576    1.4465 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8391    0.1128    1.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486   -2.5117    0.5183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2104    1.1923    1.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1856    2.4552    0.5806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8053   -2.3636   -1.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8821   -1.1465   -1.6743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9899    1.2269   -1.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0334    2.4495   -0.2582 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