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
-2.3062 -0.3275 0.5798 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3199 0.0385 -0.4846 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7390 0.4078 -1.6684 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1293 -0.0196 -0.1915 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6195 -0.3713 0.9425 N 0 0 0 0 0 4 0 0 0 0 0 0
2.0617 -0.3164 0.8822 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3230 0.5774 -0.2978 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1576 0.2928 -1.0844 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9441 0.0126 1.5799 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4556 -1.4393 0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2719 0.1342 0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0366 0.6680 -2.4248 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7822 0.4467 -1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0380 -0.6562 1.7862 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4027 -1.3437 0.6046 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5170 0.0505 1.8167 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3771 1.6356 -0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2295 0.2100 -0.8106 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