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
    2.1954    0.4829    0.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2529   -0.4083    0.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1001   -0.1387    0.0488 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5314    0.9829   -0.5427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8618    0.8383   -0.6865 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2530   -0.3453   -0.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1263   -0.9697    0.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2369    0.3189    0.3653 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9646    1.4220   -0.3512 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4752   -1.3556    0.8664 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0594    1.8548   -0.8555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2554   -0.7313   -0.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0564   -1.9507    0.7419 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