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
    2.1890   -0.2802   -0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2575    0.3962    0.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1300    0.2353    0.2489 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1873    0.8489    0.8071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3118    0.4388    0.2026 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0106   -0.4477   -0.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6218   -0.5642   -0.7148 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2139   -0.1245    0.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9021   -0.9522   -0.8335 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4854    1.0875    1.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0784    1.5592    1.6218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6668   -0.9829   -1.4455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0412   -1.2142   -1.3742 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