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
   -2.0322   -0.8317    0.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4076    0.3190    0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0236    0.3703    0.0449 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8265    1.4457    0.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1140    1.0829   -0.1028 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1620   -0.2561   -0.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8483   -0.6679   -0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5290   -1.7658   -0.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0980   -0.8582    0.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9652    1.2228    0.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4743    2.4741    0.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0598   -0.8393   -0.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5234   -1.6957   -0.2779 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