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
    4.0469    0.2019   -0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9852   -0.4461   -0.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6072   -0.1008   -0.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3149    0.9568    0.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0182    1.2233    0.8455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0419    0.4494    0.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6898   -0.5912   -0.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069   -0.8616   -0.7920 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7109   -1.3810   -1.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0267   -1.1088   -0.7056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3780   -0.0585    0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3754    0.7143    0.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0317   -0.1014   -0.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9411    1.0402    0.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1737   -1.3043   -1.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0926    1.5808    0.9585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2710    2.0477    1.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4442   -2.1916   -1.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8160   -1.7360   -1.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4373    0.1233    0.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5908    1.5434    1.2843 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