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
   -2.0463    0.8201   -0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3224   -0.3072   -0.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414   -0.3585   -0.0513 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8297   -1.4398   -0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0870   -1.0705    0.2424 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0993    0.2320    0.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8050    0.6661    0.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0962    0.8401   -0.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5651    1.7303    0.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8352   -1.1888   -0.6744 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5773   -2.4626   -0.4315 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9303    0.8320    0.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4954    1.7068    0.5438 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