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
   -2.2411    0.2993    0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2701   -0.2998   -0.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0782   -0.0879   -0.1007 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5272    0.6801    0.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8739    0.6150    0.9763 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2918   -0.2065    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1820   -0.6328   -0.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2837    0.1748   -0.1514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0261    0.9442    0.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4682   -0.9474   -1.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448    1.2565    1.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3358   -0.4884   -0.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1451   -1.3072   -1.4988 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