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
   -2.2730    0.1758    0.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2590   -0.2672   -0.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0752   -0.0637   -0.1069 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4880    0.5570    1.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8526    0.5378    1.0736 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3200   -0.0907    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2188   -0.4687   -0.7391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0895    0.6875    1.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2892    0.0118   -0.2072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4311   -0.7886   -1.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1898    0.9895    1.7257 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3605   -0.2791   -0.2574 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2164   -1.0015   -1.6755 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