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
    4.0021    0.3687   -0.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8627    0.9550   -0.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5749    0.3888   -0.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4573   -0.8205    0.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2252   -1.3575    0.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9272   -0.6636    0.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7899    0.5459   -0.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4311    1.0384   -0.5887 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9471    1.2533   -0.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1986    0.7820   -0.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3132   -0.4212    0.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1774   -1.1539    0.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417    0.8186   -0.7277 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0984   -0.5964    0.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8842    1.9120   -1.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3196   -1.4152    0.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1122   -2.3001    1.1785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8474    2.2191   -1.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1096    1.3387   -0.4903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3105   -0.8003    0.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2884   -2.0918    1.2046 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