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
    3.6591   -0.8881   -0.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1252    0.2926   -0.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6717    0.4524   -0.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1010    1.6754    0.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2677    1.7874    0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0762    0.6768    0.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4762   -0.5473   -0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8516   -0.6058   -0.1833 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2981   -1.6513   -0.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6693   -1.5864   -0.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2666   -0.3721    0.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4482    0.7377    0.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0177   -1.7532   -0.5785 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7152   -1.0387   -0.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7699    1.1528   -0.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7565    2.5431    0.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7482    2.7300    0.5579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8438   -2.6110   -0.3982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3252   -2.4424   -0.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3451   -0.2525    0.3314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9032    1.7003    0.5589 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