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
   -2.2332   -0.4378   -0.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2997    0.4774   -0.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0700    0.1452   -0.0241 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5680   -1.0667    0.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9278   -1.0037    0.3858 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2840    0.2647    0.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1256    0.9628   -0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2582   -0.1801   -0.2587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9605   -1.4391    0.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5249    1.5196   -0.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0236   -1.9695    0.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862    0.7104    0.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0385    2.0168   -0.3283 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