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
-2.2545 -0.6711 -0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3788 0.0470 0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8481 0.6148 1.4734 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0425 0.1106 0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6803 -0.3835 -0.9156 N 0 0 0 0 0 4 0 0 0 0 0 0
2.0894 -0.0978 -0.8302 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2725 0.5677 0.5165 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9569 0.7629 0.9356 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2391 -0.1748 -0.5494 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3539 -1.7584 -0.2913 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7884 -0.6238 -1.5936 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1801 1.1258 2.1459 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9120 0.5477 1.6591 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2306 -0.9122 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6795 -1.0598 -0.8134 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4394 0.5286 -1.6687 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7444 -0.1435 1.2544 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8192 1.5196 0.4512 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