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
   -2.0700    0.6551    0.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3563   -0.2172   -0.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0791   -0.2721   -0.2283 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8787   -1.1367   -0.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -0.8612   -0.4589 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1513    0.1375    0.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8130    0.5206    0.5718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1399    0.6860    0.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6482    1.3737    0.9777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8697   -0.8923   -1.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5867   -1.9136   -1.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9660    0.6123    0.9539 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4754    1.3079    1.2172 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