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
    4.0303    0.0678    0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9302    0.7593    0.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6066    0.2185    0.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3421   -1.0949   -0.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0440   -1.5461   -0.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0042   -0.6662   -0.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7277    0.6658    0.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5422    1.0582    0.2180 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7524    1.5755    0.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0692    1.1792    0.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3356   -0.1481   -0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3245   -1.0562   -0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9828    0.5427    0.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9790   -0.9790   -0.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0454    1.8342    0.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1733   -1.8117   -0.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1860   -2.5711   -0.5245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5229    2.6199    0.4862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8512    1.9146    0.2946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3773   -0.4524   -0.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5249   -2.1101   -0.4827 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