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
    2.2560   -0.0588   -0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1947   -0.7248    0.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0867   -0.1228    0.0652 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3792    1.0724   -0.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7118    1.2860   -0.4713 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3129    0.2170    0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2922   -0.6484    0.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1899    0.9255   -0.6156 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2414   -0.4722   -0.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3408   -1.6909    0.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3503    1.7661   -0.8656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3840    0.0666    0.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4063   -1.6156    0.8796 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