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
-2.0861 0.6184 0.3505 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3851 -0.3998 -0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0398 -0.3380 -0.1469 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8859 -1.3027 -0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1523 -0.8694 -0.4611 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1538 0.3635 0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8233 0.6787 0.2583 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5730 1.5127 0.7141 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1512 0.6432 0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8985 -1.2651 -0.4667 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5683 -2.2661 -0.9973 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0093 1.0087 0.3115 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4612 1.6159 0.6759 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