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
    4.0204    0.2683   -0.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9033    0.9443   -0.4356 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5911    0.3342   -0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3849   -1.0238   -0.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0922   -1.5487   -0.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0073   -0.7209   -0.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7632    0.6344   -0.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4884    1.1297   -0.2589 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8265    1.5258   -0.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1161    1.0362    0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3394   -0.3178    0.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2904   -1.2043   -0.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9905    0.7400   -0.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0768   -0.8261   -0.4882 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9866    2.0298   -0.4633 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2432   -1.6745   -0.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0367   -2.6278   -0.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6255    2.6058   -0.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9715    1.7275    0.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3309   -0.7417    0.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4698   -2.2904    0.0299 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