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
    4.0268   -0.0266   -0.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9873    0.7385   -0.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6081    0.2478   -0.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3060   -1.0837   -0.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -1.5612   -0.4195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0030   -0.6362   -0.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7100    0.7208   -0.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828    1.0867   -0.0855 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7212    1.6362    0.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0212    1.2092    0.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3506   -0.1079   -0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3330   -1.0233   -0.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9585   -1.1010   -0.5683 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0281    0.4170   -0.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1492    1.8203   -0.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0754   -1.8281   -0.5674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2648   -2.5849   -0.5462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5214    2.6872    0.2480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8051    1.9213    0.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3926   -0.4545   -0.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6035   -2.0776   -0.3509 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