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
   -3.6298    0.7857    0.6519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0701   -0.2961    0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6368   -0.4218   -0.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1328   -1.5965   -0.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2339   -1.6680   -0.7642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0774   -0.6324   -0.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5190    0.5320    0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8276    0.5951    0.2299 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3217    1.6098    0.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6956    1.5337    0.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2449    0.3776   -0.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4465   -0.6958   -0.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6956    0.8225    0.7986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9985    1.6295    0.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7179   -1.1439   -0.0722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7903   -2.4424   -0.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6553   -2.5777   -1.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8454    2.4910    0.7434 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2976    2.3985    0.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3103    0.3072   -0.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8517   -1.6081   -1.0676 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