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
   -1.3801   -1.0919    1.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3614   -0.1446    0.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1441    0.2388   -0.1988 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0115    1.1972   -1.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2776    1.2998   -1.5212 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828    0.4135   -0.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0927   -0.2435    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2611   -1.4216    1.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4397   -1.5808    1.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2933    0.3296    0.1719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8425    1.7771   -1.5281 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0482    0.2535   -0.8931 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3324   -1.0271    0.7030 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