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
    3.9601   -0.6578   -0.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7457   -1.0647   -0.9896 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5218   -0.4650   -0.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5396    0.6210    0.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3533    1.1980    0.8242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8559    0.6715    0.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8529   -0.4165   -0.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3030   -0.9435   -0.8439 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0604   -0.9840   -0.8259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2560   -0.4553   -0.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2297    0.6328    0.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0609    1.2195    0.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1007    0.1816   -0.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8427   -1.1374   -1.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6063   -1.9334   -1.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4767    1.0779    0.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3452    2.0449    1.4844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0229   -1.8234   -1.4809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2148   -0.8761   -0.6966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1970    1.0355    0.7929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0448    2.0744    1.5575 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