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
   -2.2726    0.0915    0.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1871   -0.6200   -0.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1211   -0.1301   -0.0421 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4165    1.0959    0.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7522    1.2303    0.4354 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2903    0.0748   -0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2532   -0.7932   -0.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2121    1.1000    0.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2651   -0.3151   -0.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3305   -1.6194   -0.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2678    1.8670    0.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3456   -0.1689   -0.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3563   -1.8128   -0.7224 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