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
    2.0279    0.7173    0.3675 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2977    0.2360   -0.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0613   -0.1071   -0.3322 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9572   -0.6173   -1.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1284   -0.8084   -0.5953 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0199   -0.4325    0.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7158    0.0015    0.8281 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6223    0.8572    1.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0611    0.9683    0.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690    0.0797   -1.6164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7029   -0.8141   -2.2542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7823   -0.4582    1.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3102    0.3777    1.7772 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