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
    2.2532    0.2800    0.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2956   -0.4878   -0.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0852   -0.1563   -0.0922 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5113    0.9447    0.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8761    0.9625    0.5321 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3188   -0.1382   -0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1725   -0.8093   -0.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2865    0.0350    0.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9908    1.1810    0.7167 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5918   -1.3973   -0.7891 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0517    1.7395    1.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3557   -0.4129   -0.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -1.7409   -1.0302 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