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
    2.1242   -0.4238   -0.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3037    0.5541    0.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0892    0.3468    0.1185 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.2538    0.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2325    0.6303    0.1819 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0555   -0.6296   -0.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6814   -0.7900   -0.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2110   -0.2524   -0.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7465   -1.3780   -0.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6530    1.5270    0.5549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8656    2.2569    0.7667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8069   -1.3710   -0.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2368   -1.7239   -0.6002 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