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
    3.5729    0.0273   -1.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0868    0.3139    0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6683    0.2505    0.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1141    0.5411    1.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2315    0.4816    1.7857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0707    0.1081    0.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4978   -0.1813   -0.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8350   -0.1111   -0.6847 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2920   -0.5587   -1.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6482   -0.6376   -1.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1980   -0.3477   -0.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4306    0.0321    0.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8727   -0.2671   -1.9483 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6408    0.0678   -1.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7578    0.6019    0.8186 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7687    0.8316    2.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6695    0.7129    2.7572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8390   -0.7907   -2.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3028   -0.9333   -2.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2815   -0.4017    0.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8558    0.2605    1.9190 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