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
    3.7204    0.4280    0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0363   -0.6189   -0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5796   -0.5891   -0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8885   -1.7052   -0.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4897   -1.6820   -0.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1490   -0.5312   -0.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4412    0.5927    0.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8974    0.5248    0.2433 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862    1.7678    0.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4457    1.8093    0.5834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1559    0.7141    0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5118   -0.4419   -0.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1889    1.3169    0.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7977    0.3601    0.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369   -1.5330   -0.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4277   -2.6060   -0.8359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0349   -2.5645   -0.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4694    2.5980    0.9246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9717    2.7037    0.8795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2354    0.7533    0.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0826   -1.2968   -0.5255 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