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
    2.1307    0.4566    0.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3244   -0.2613   -0.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0874   -0.2409   -0.2678 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9879   -0.9160   -0.9661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2394   -0.6449   -0.5584 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1080    0.2462    0.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7644    0.4948    0.6242 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1944    0.3995    0.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7601    1.1156    1.1331 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7591   -0.8944   -1.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7774   -1.6061   -1.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8954    0.6955    1.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3088    1.1554    1.3411 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