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
   -2.0861    0.6184    0.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3851   -0.3998   -0.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0398   -0.3380   -0.1469 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8859   -1.3027   -0.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1523   -0.8694   -0.4611 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1538    0.3635    0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8233    0.6787    0.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5730    1.5127    0.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1512    0.6432    0.4044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8985   -1.2651   -0.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5683   -2.2661   -0.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0093    1.0087    0.3115 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4612    1.6159    0.6759 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