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
   -2.0577   -0.7575   -0.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3988    0.3645   -0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0376    0.3242    0.0509 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8047    1.4073    0.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1083    1.0339    0.3244 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1610   -0.3052    0.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8613   -0.7063   -0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5129   -1.6849   -0.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1290   -0.7686   -0.3684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9457    1.2782    0.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4295    2.4128    0.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0861   -0.8746    0.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5555   -1.7238   -0.2089 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