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
    3.7599    0.6195   -0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0896   -0.5118   -0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6409   -0.5293   -0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9585   -1.7374   -0.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4200   -1.7794   -0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1501   -0.6246   -0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    0.5684    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8872    0.5809    0.0114 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1856    1.7639    0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5631    1.7938    0.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2440    0.5999    0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5325   -0.5991   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8394    0.6707   -0.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2603    1.5967    0.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6279   -1.4366   -0.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5637   -2.6395   -0.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9416   -2.7258   -0.0745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6316    2.6920    0.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1345    2.7118    0.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3122    0.5303    0.0442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0538   -1.5446   -0.0256 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