Monomers
2-Prop-1-en-2-yl-4,5-dihydro-1,3-oxazol-3-ium
Identifiers
IUPAC name
2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazol-3-ium
InchI
InChI=1S/C6H9NO/c1-5(2)6-7-3-4-8-6/h1,3-4H2,2H3/p+1
InchI Key
LPIQIQPLUVLISR-UHFFFAOYSA-O
SMILES
CC(=C)C1=[NH+]CCO1
Canonical SMILES
CC(=C)C1=[NH+]CCO1
Isomeric SMILES
CC(=C)C1=[NH+]CCO1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H10NO+
Heavy Atom Count
8
Molecular Weight
112.152
Exact Molecular Weight
112.0757
Valence Electrons
44
Radical Electrons
0
tPSA
23.2
MolLogP
-0.9282
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
18 18 0 0 0 0 0 0 0 0999 V2000
2.2607 -1.0173 0.2186 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4164 0.1845 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9360 1.3770 -0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0496 -0.0016 -0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9106 0.9311 -0.2434 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.2569 0.4273 -0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1097 -0.9782 0.2505 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7235 -1.2004 0.0893 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2331 -1.2323 1.3212 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7367 -1.8719 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2965 -0.8872 -0.1509 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3557 2.2551 -0.3246 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0246 1.4700 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6346 1.9516 -0.3834 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6178 0.4323 -1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9333 0.9940 0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3950 -1.1044 1.3263 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6286 -1.7297 -0.3994 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 4 1 0
4 5 2 0
5 6 1 0
6 7 1 0
7 8 1 0
8 4 1 0
1 9 1 0
1 10 1 0
1 11 1 0
3 12 1 0
3 13 1 0
5 14 1 0
6 15 1 0
6 16 1 0
7 17 1 0
7 18 1 0
M CHG 1 5 1
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers