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
    3.4455   -1.4708    0.5995 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0472   -0.5759   -0.2897 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6446   -0.1417   -0.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2573    0.7874   -1.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0348    1.2200   -1.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9575    0.6961   -0.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5489   -0.2373    0.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7340   -0.6361    0.4928 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4873   -0.7731    1.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7980   -0.3671    1.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1639    0.5666    0.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2871    1.1122   -0.5517 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4999   -1.7758    0.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7156   -1.8643    1.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7543   -0.1549   -0.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0091    1.1905   -1.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3681    1.9588   -2.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1589   -1.5168    2.0736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5374   -0.7753    1.9695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2032    0.9010    0.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    1.8563   -1.3084 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