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
    2.2885    0.0672    0.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195   -0.6172   -0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0868   -0.1103   -0.0554 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3997    1.0657    0.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7526    1.1708    0.5519 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3127    0.0720    0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2507   -0.7250   -0.3729 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1365    1.0272    0.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2702   -0.3481   -0.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3349   -1.5806   -0.7590 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2903    1.8097    0.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3872   -0.1367   -0.1123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3501   -1.6948   -0.8507 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