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
   -2.1162   -0.6849   -0.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3842    0.3950    0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0592    0.3332    0.0371 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8784    1.3917    0.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1719    0.9574    0.0926 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1618   -0.3890   -0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8222   -0.7418   -0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6357   -1.6358   -0.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1803   -0.6204   -0.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8902    1.3493    0.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6491    2.4295    0.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0217   -1.0370   -0.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4423   -1.7472   -0.1998 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