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
    3.6571    0.2003    0.7315 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0111   -0.7902    0.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5729   -0.6803   -0.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8759   -1.7205   -0.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4733   -1.6164   -0.9044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1388   -0.4496   -0.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311    0.5835    0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8924    0.4365    0.2325 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0805    1.7731    0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4301    1.9190    0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1046    0.8680   -0.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5026   -0.3073   -0.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1427    1.1170    0.9970 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7148    0.1744    0.9488 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5257   -1.6998   -0.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4308   -2.6132   -0.9032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0411   -2.4226   -1.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4856    2.5569    0.8058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9350    2.8558    0.4005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1826    0.9535   -0.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0181   -1.1381   -1.2566 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