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
-2.0652 -1.1088 0.4641 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3736 0.1388 0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0870 1.2111 -0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0911 0.2118 0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8621 -0.7735 0.3059 N 0 0 0 0 0 4 0 0 0 0 0 0
2.2219 -0.3305 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1033 0.8678 -0.7322 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8162 1.3605 -0.3183 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4625 -1.9897 0.1839 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1314 -1.1097 1.5846 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0736 -1.0970 0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1594 1.1725 -0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5882 2.1488 -0.4991 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5201 -1.7418 0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5750 -0.0071 1.1533 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8822 -1.1179 -0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 1.6397 -0.5776 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0110 0.5251 -1.7747 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