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
   -1.9194    0.4839    0.9436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3794   -0.4415    0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0146   -0.3096   -0.1879 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7116   -1.1655   -0.9637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9708   -0.7029   -1.0971 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0921    0.4514   -0.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8444    0.6707    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3195    1.3172    1.2617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9482    0.4644    1.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9993   -1.2638   -0.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3294   -2.0796   -1.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9977    1.0371   -0.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6342    1.5381    0.7453 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