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
   -2.0439   -0.7665    0.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3788    0.3317   -0.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0430    0.3695   -0.1023 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8503    1.4214   -0.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1229    0.9988   -0.2634 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1535   -0.2906    0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8336   -0.6775    0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5259   -1.6770    0.4556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1228   -0.7523    0.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8980    1.2418   -0.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4620    2.3938   -0.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0056   -0.9253    0.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4985   -1.6677    0.4665 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