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
    4.0153    0.2346    0.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8866    0.8894    0.6823 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5836    0.3338    0.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4268   -0.9122   -0.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1503   -1.3975   -0.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9538   -0.6307   -0.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7634    0.6182    0.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4775    1.0577    0.5782 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8879    1.3758    0.5432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1537    0.9129    0.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3453   -0.3332   -0.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2263   -1.1046   -0.5724 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9746    0.6700    0.7402 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0752   -0.7533    0.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9678    1.8868    1.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2731   -1.5398   -0.4311 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445   -2.3666   -0.9594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7890    2.3522    0.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0448    1.4956    0.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3416   -0.7038   -0.5525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3695   -2.0852   -1.0141 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