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
    3.4843    1.4260   -0.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1018    0.2240   -0.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6924   -0.1158    0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3139   -1.4017    0.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0056   -1.7811    0.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9663   -0.8167    0.3852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5844    0.4742    0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7158    0.7873   -0.1170 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5487    1.4459   -0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8756    1.1081    0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2350   -0.1960    0.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2825   -1.1798    0.5674 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5320    1.6751   -0.6065 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7182    2.1959   -0.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8460   -0.5525   -0.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0980   -2.1497    0.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2429   -2.8150    0.8040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2746    2.4607   -0.3662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6511    1.8796   -0.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2733   -0.4626    0.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5734   -2.2061    0.8311 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