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
   -3.9978    0.1676   -0.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9356   -0.5395   -0.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5921   -0.1541   -0.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3674    1.0158    0.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0556    1.3532    0.8475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9973    0.5266    0.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7426   -0.6439   -0.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -0.9300   -0.4961 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7727   -1.5036   -0.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0629   -1.1965   -0.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3256   -0.0250    0.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3031    0.8249    0.8554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0016   -0.1471   -0.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9700    1.1012    0.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0653   -1.4787   -1.1327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1661    1.6990    0.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1219    2.2781    1.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6009   -2.4248   -1.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8755   -1.8740   -0.4581 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3494    0.2153    0.7772 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5246    1.7355    1.3957 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