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
    3.4995   -1.2412   -0.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0952    0.0039   -0.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6855    0.3158   -0.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2337    1.6301   -0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1157    1.8427    0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    0.7864    0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5037   -0.4970    0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8088   -0.7020   -0.0900 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4124   -1.5514    0.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7701   -1.3643    0.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2344   -0.0697    0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3763    1.0039    0.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7860   -2.0633   -0.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5367   -1.5339   -0.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8007    0.8119   -0.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9441    2.4411   -0.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5417    2.8578    0.1472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0011   -2.5530   -0.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4181   -2.2301    0.1914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3105    0.0885    0.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7101    2.0239    0.2897 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