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
-2.1623 -0.4667 -0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3232 0.5434 -0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0835 0.3557 -0.1087 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0242 1.3028 -0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2567 0.7398 -0.1111 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0952 -0.5895 0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7159 -0.8183 0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2291 -0.3514 -0.0887 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7709 -1.4590 0.0946 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7640 1.5375 -0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8993 2.3650 -0.3621 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8618 -1.3456 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3129 -1.8138 0.1901 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