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
    2.0859   -0.7110    0.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3915    0.3499   -0.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0261    0.3285   -0.1069 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8649    1.3537   -0.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1336    0.9670   -0.2703 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1644   -0.3113    0.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8419   -0.6867    0.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5675   -1.5935    0.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1661   -0.7213    0.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9099    1.2398   -0.4468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5292    2.3354   -0.7525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625   -0.8891    0.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4982   -1.6613    0.5542 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