Monomers

2-Methyl-5-vinylpyridine

Identifiers

IUPAC name
5-ethenyl-2-methylpyridine
InchI
InChI=1S/C8H9N/c1-3-8-5-4-7(2)9-6-8/h3-6H,1H2,2H3
InchI Key
VJOWMORERYNYON-UHFFFAOYSA-N
SMILES
C=Cc1ccc(nc1)C
Canonical SMILES
CC1=NC=C(C=C1)C=C
Isomeric SMILES
CC1=NC=C(C=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H9N
Heavy Atom Count
9
Molecular Weight
119.167
Exact Molecular Weight
119.0735
Valence Electrons
46
Radical Electrons
0
tPSA
12.89
MolLogP
2.033
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -3.3329   -0.2010   -0.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3995    0.6676    0.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9878    0.3980    0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276   -0.7818   -0.4355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8617   -0.9483   -0.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7656    0.0131   -0.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2767    1.1572    0.3277 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0468    1.3609    0.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2347   -0.2312   -0.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1101   -1.1648   -0.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3951    0.0717    0.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7417    1.6365    0.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1850   -1.5755   -0.7503 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -1.8892   -0.9557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4502    2.2801    0.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7050    0.2603    0.5776 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6096    0.2397   -1.2499 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4816   -1.2934   -0.3177 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
  6  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  8 15  1  0
  9 16  1  0
  9 17  1  0
  9 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers