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
   -2.0891   -0.5388    0.4697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3277    0.4447    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0695    0.3208   -0.1274 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8913    1.2770   -0.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1536    0.8090   -0.5776 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1225   -0.4692   -0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8015   -0.7549    0.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5855   -1.4665    0.7470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1489   -0.4486    0.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8415    1.3698   -0.2671 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5456    2.2716   -0.9087 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9764   -1.1245    0.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4324   -1.6904    0.5675 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