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
   -2.2867    0.1863    0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2513   -0.5971   -0.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0894   -0.1422   -0.0383 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4767    1.0960    0.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8201    1.1682    0.3394 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3198   -0.0368    0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2252   -0.8366   -0.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3090   -0.1446   -0.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0682    1.2064    0.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4581   -1.6269   -0.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1844    1.9218    0.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3828   -0.3092   -0.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2436   -1.8853   -0.5065 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