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
    1.6420    0.7262    1.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2853   -0.3358    0.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0398   -0.3340   -0.1253 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4702   -1.3624   -0.8629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6590   -0.9743   -1.3530 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9420    0.2777   -0.9578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8589    0.6528   -0.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0089    1.5875    1.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5740    0.7489    1.7625 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9281   -1.1843    0.5496 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0413   -2.3135   -0.9981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8153    0.8723   -1.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7740    1.6389    0.2927 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