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
   -1.6210   -1.1978    0.9113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4085   -0.1174    0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1073    0.3004   -0.1905 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2470    1.3685   -0.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5630    1.4404   -1.0673 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1129    0.4034   -0.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0409   -0.3102    0.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5938   -1.5367    1.2072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7513   -1.7593    1.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2829    0.4431   -0.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    2.0648   -1.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1232    0.1040   -0.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1360   -1.2033    0.7107 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