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
   -1.7472   -1.2415    0.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4235   -0.1460   -0.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690    0.2846   -0.1976 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4385    1.3866   -0.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7594    1.4811   -0.5708 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    0.4404    0.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9751   -0.2991    0.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0089   -1.8090    0.9435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7639   -1.5777    0.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1821    0.4219   -0.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1520    2.0813   -1.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1103    0.1843    0.5535 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9341   -1.2069    0.9766 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