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
    4.0136   -0.0428    0.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9665    0.6892   -0.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6131    0.2106   -0.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3381   -1.0277    0.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0035   -1.4301    0.5919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0374   -0.5896    0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6914    0.6458   -0.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5997    1.0178   -0.4136 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7063    1.5234   -0.6527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0339    1.1437   -0.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3934   -0.0882   -0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3571   -0.9314    0.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0297    0.3358   -0.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9537   -1.0403    0.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1725    1.6785   -0.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1010   -1.7130    0.7363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2696   -2.3902    0.9859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4645    2.5012   -1.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8261    1.8150   -0.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4205   -0.4028    0.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5843   -1.9047    0.7549 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