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
    2.0477    0.6983    0.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3883   -0.4133    0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0367   -0.3563   -0.0579 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8506   -1.4106   -0.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1215   -0.9732   -0.3717 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1608    0.3558   -0.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8348    0.7218    0.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249    1.6513    0.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330    0.7284    0.4416 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9451   -1.3200    0.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5216   -2.4453   -0.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0120    1.0214   -0.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5010    1.7418    0.2110 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