Monomers

1-Vinylimidazole

Identifiers

IUPAC name
1-ethenylimidazole
InchI
InChI=1S/C5H6N2/c1-2-7-4-3-6-5-7/h2-5H,1H2
InchI Key
OSSNTDFYBPYIEC-UHFFFAOYSA-N
SMILES
C=Cn1cncc1
Canonical SMILES
C=CN1C=CN=C1
Isomeric SMILES
C=CN1C=CN=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H6N2
Heavy Atom Count
7
Molecular Weight
94.117
Exact Molecular Weight
94.0531
Valence Electrons
36
Radical Electrons
0
tPSA
17.82
MolLogP
0.9836
H Bond Acceptors
2
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

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.0798    0.6619    0.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2644    0.0465   -0.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0868   -0.1667   -0.3136 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0727   -0.7781   -1.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2105   -0.7892   -0.3074 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9972   -0.1924    0.8787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6561    0.1868    0.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7252    0.9836    1.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1275    0.8307   -0.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6298   -0.2803   -1.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9045   -1.1702   -2.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7119   -0.0382    1.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1871    0.7055    1.6894 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  3  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  4 11  1  0
  6 12  1  0
  7 13  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers