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
    3.5422    1.3132   -0.4463 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0892    0.2334    0.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6630   -0.1334    0.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2237   -1.2775    0.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1328   -1.5606    0.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0176   -0.7504   -0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5141    0.3954   -0.6362 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8053    0.6688   -0.5588 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3901    1.2151   -1.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7391    0.9655   -1.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2394   -0.1806   -0.7891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3688   -1.0050   -0.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    1.9539   -0.9741 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5847    1.5652   -0.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7788   -0.4159    0.6755 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8952   -1.9342    1.2681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5366   -2.4524    1.1343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0047    2.0991   -1.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4241    1.6041   -1.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2968   -0.4168   -0.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7759   -1.8868    0.3612 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