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
    3.9755   -0.3874    0.5926 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8094   -0.7433    1.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5599   -0.3034    0.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5069    0.5090   -0.6708 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2739    0.8818   -1.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9179    0.4639   -0.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241   -0.3481    0.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3688   -0.7020    0.9641 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0151   -0.7782    1.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2264   -0.3944    0.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3117    0.4207   -0.6273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1286    0.8472   -1.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1440    0.2493   -0.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8948   -0.7406    1.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7721   -1.3808    1.9291 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4284    0.8540   -1.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2349    1.5159   -2.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9349   -1.4128    1.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1366   -0.7293    0.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2815    0.6895   -1.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1921    1.4888   -2.0674 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