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
    2.1687    0.2820    0.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3263   -0.4630   -0.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0913   -0.2523   -0.2207 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0407   -0.9510   -0.8661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2649   -0.4600   -0.5054 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0973    0.5387    0.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7295    0.6559    0.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7747    1.0464    0.9836 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2097    0.1144    0.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7271   -1.2319   -0.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8354   -1.7613   -1.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8979    1.1069    0.8066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2497    1.3753    1.1666 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