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
    3.9734    0.3200   -0.7322 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7869    0.0790   -1.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5387    0.1108   -0.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4714    0.3987    0.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2486    0.4182    1.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8955    0.1385    0.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8272   -0.1493   -0.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3612   -0.1527   -1.1305 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9799   -0.4330   -1.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2050   -0.4258   -0.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2597   -0.1365    0.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1238    0.1452    1.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0970    0.5624    0.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8588    0.2718   -1.3832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7235   -0.1619   -2.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3891    0.6115    1.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2355    0.6486    2.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8882   -0.6505   -2.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0746   -0.6500   -1.2393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2135   -0.1236    1.2290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2165    0.3666    2.4928 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