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
   -2.2731   -0.0643    0.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1798   -0.7880    0.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0763   -0.1372    0.0042 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3276    1.1897   -0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6572    1.4184   -0.1648 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2956    0.2360   -0.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3074   -0.7170   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2269    1.0047    0.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2316   -0.5491    0.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1643   -1.8644    0.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4393    1.9501   -0.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3704    0.1062   -0.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4806   -1.7850    0.0297 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