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
-2.0128 -1.0707 0.6504 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3441 0.1967 0.3168 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9869 1.3260 0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0317 0.1581 -0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7635 -0.8816 -0.2730 N 0 0 0 0 0 4 0 0 0 0 0 0
2.0811 -0.5230 -0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1432 0.9707 -0.4133 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7707 1.3033 -0.4742 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2987 -1.8675 0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6828 -0.8575 1.5297 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6760 -1.3915 -0.1905 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0110 1.3137 0.7593 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5223 2.2610 0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4589 -1.8555 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8088 -1.0505 -0.0976 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1968 -0.7119 -1.8127 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5804 1.1511 0.5862 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6996 1.5290 -1.1932 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