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
    3.9956    0.1718    0.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9570   -0.6016    0.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6118   -0.1340    0.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3243    1.1729   -0.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    1.5068   -0.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0196    0.5793   -0.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6869   -0.7164    0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5880   -1.0332    0.3164 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7107   -1.6503    0.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0187   -1.3297   -0.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3503   -0.0322   -0.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3351    0.9135   -0.5606 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9774   -0.2648    0.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9070    1.2142    0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0902   -1.6529    0.8387 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0997    1.9247   -0.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2222    2.5125   -0.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4718   -2.6541    0.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7942   -2.0967   -0.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3764    0.2445   -0.7303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5653    1.9257   -0.8171 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