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
   -2.1768   -0.4856    0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3371    0.4810    0.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0865    0.3288    0.1380 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0323    1.2542    0.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518    0.7258    0.1018 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0992   -0.5425   -0.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7394   -0.7725   -0.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2219   -0.3354    0.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8090   -1.4263   -0.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6970    1.4397    0.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8182    2.2575    0.7231 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9139   -1.1963   -0.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3007   -1.7282   -0.5633 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