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
-2.1731 0.8099 -0.8936 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3662 -0.1306 -0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9806 -0.9860 0.7126 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1053 -0.0874 -0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8976 -0.8445 0.5403 N 0 0 0 0 0 4 0 0 0 0 0 0
2.2701 -0.5201 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1004 0.9295 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8441 0.7940 -0.9269 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5687 0.3160 -1.8032 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6029 1.7269 -1.1222 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0508 1.0999 -0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4198 -1.6660 1.3131 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0467 -1.0060 0.7473 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5951 -1.5818 1.2058 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9532 -0.6028 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6190 -1.0718 -0.6813 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9089 1.2188 -0.9122 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9151 1.6021 0.5979 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