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
   -2.1623   -0.4667   -0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3232    0.5434   -0.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0835    0.3557   -0.1087 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0242    1.3028   -0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2567    0.7398   -0.1111 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0952   -0.5895    0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7159   -0.8183    0.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2291   -0.3514   -0.0887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7709   -1.4590    0.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7640    1.5375   -0.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8993    2.3650   -0.3621 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8618   -1.3456    0.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3129   -1.8138    0.1901 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