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
   -2.2676    0.1598    0.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2842   -0.4569   -0.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0760   -0.0703   -0.0663 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6162    0.9026    0.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9529    0.9286    0.5390 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2768   -0.0575   -0.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0989   -0.6811   -0.6837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0322    0.9812    1.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2766   -0.1564    0.2449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5359   -1.2860   -0.8794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0713    1.5831    1.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2701   -0.3278   -0.6414 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0343   -1.5191   -1.3636 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