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
    4.0067   -0.1688   -0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9637   -0.3244   -0.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6192   -0.1362   -0.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3827    0.2202    1.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0843    0.3999    1.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9658    0.2092    0.6339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7346   -0.1515   -0.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5322   -0.3094   -1.0744 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8096   -0.3426   -1.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1052   -0.1797   -1.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3528    0.1798    0.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2887    0.3662    1.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9509    0.1081    1.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9852   -0.3228   -0.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0696   -0.6102   -1.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1637    0.3768    1.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1074    0.6830    2.5343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5893   -0.6231   -2.5696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9415   -0.3253   -1.8163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3866    0.3039    0.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4768    0.6470    2.0384 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