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
    3.4679    1.4375   -0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0898    0.1799   -0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6907   -0.1867   -0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3596   -1.5214    0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0037   -1.8594    0.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9297   -0.8339    0.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5787    0.4929   -0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7466    0.7729   -0.0584 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5464    1.4800   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8928    1.1870    0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2505   -0.1472    0.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2851   -1.1174    0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5009    1.7523   -0.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6955    2.1942   -0.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8445   -0.5864   -0.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1289   -2.2879    0.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3032   -2.8950    0.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2582    2.5218   -0.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6284    1.9782    0.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2921   -0.4007    0.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5631   -2.1607    0.1775 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