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
    1.9906   -0.9604    0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4256    0.2124   -0.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0035    0.3472   -0.0523 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6911    1.4953   -0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0204    1.2249   -0.0836 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1937   -0.0946    0.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9062   -0.6242    0.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3771   -1.8210    0.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -1.0488    0.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0294    1.0911   -0.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2693    2.4791   -0.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1314   -0.6408    0.2545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6613   -1.6603    0.2844 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