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
    3.9217   -0.6418   -0.4297 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0085    0.2920   -0.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6110    0.0074   -0.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1619   -1.2453    0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1800   -1.4957    0.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0489   -0.4450    0.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6073    0.8147   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6943    1.0185   -0.2532 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5349    1.8567   -0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8519    1.6183    0.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2838    0.3615    0.5154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3912   -0.6558    0.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7342   -1.6728   -0.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9559   -0.3445   -0.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3269    1.3113   -0.7329 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8331   -2.0934    0.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5347   -2.5015    0.6604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1935    2.8544   -0.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5620    2.4362    0.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3297    0.1735    0.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7295   -1.6487    0.8367 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