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
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
2.0798 0.6619 0.1102 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2644 0.0465 -0.7235 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0868 -0.1667 -0.3136 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0727 -0.7781 -1.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2105 -0.7892 -0.3074 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9972 -0.1924 0.8787 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6561 0.1868 0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7252 0.9836 1.0566 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1275 0.8307 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6298 -0.2803 -1.6884 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9045 -1.1702 -2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7119 -0.0382 1.6886 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1871 0.7055 1.6894 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