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
    2.2566    0.3337   -0.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2316   -0.4013   -0.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0874   -0.1161   -0.0667 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4840    0.9127    0.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8134    0.8574    0.9313 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2867   -0.2091    0.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2153   -0.7936   -0.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1083    1.1863    0.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2351    0.0843   -0.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3732   -1.2580   -1.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2285    1.6305    1.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3188   -0.5492    0.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2277   -1.6775   -0.9704 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