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
    3.6286    0.6759    0.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0771   -0.4608    0.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -0.5304    0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0141   -1.7291   -0.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3709   -1.7867   -0.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1114   -0.6418   -0.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4797    0.5338    0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8399    0.5253    0.2160 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1665    1.7008    0.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5394    1.7387    0.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1842    0.5764   -0.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4854   -0.5946   -0.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0286    1.5448    0.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6898    0.7327    0.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6737   -1.3489    0.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6264   -2.6150   -0.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8760   -2.7058   -0.7695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6119    2.6034    0.5957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0935    2.6522    0.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2547    0.6178   -0.2673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0213   -1.4888   -0.6759 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