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
    3.4855    1.2475    0.7570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8321    0.2662    1.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4858   -0.0491    0.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7878   -1.0908    1.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4780   -1.3942    1.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1109   -0.6903    0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3547    0.3407   -0.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8766    0.6370   -0.1126 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9555    1.0715   -1.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2309    0.7796   -1.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9536   -0.2482   -1.3995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3866   -0.9912   -0.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4841    1.4891    1.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0432    1.8322   -0.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2718   -0.3083    2.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2645   -1.6556    2.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0448   -2.2058    1.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4049    1.8798   -1.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7070    1.3471   -2.7581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9605   -0.4597   -1.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9440   -1.7976    0.0578 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