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
-2.2227 0.8888 0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3699 -0.2151 -0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9203 -1.2332 -0.8607 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0736 -0.2028 -0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7545 0.7243 0.5323 N 0 0 0 0 0 4 0 0 0 0 0 0
2.1395 0.3889 0.5338 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2519 -0.6018 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9577 -1.2180 -0.4794 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2772 0.6076 0.2952 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8596 1.1488 1.2654 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0383 1.7543 -0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9898 -1.2371 -1.0017 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3388 -2.0719 -1.2331 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2681 1.5874 0.9295 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8136 1.2525 0.3915 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3644 -0.1502 1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3319 -0.1207 -1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0615 -1.3020 -0.3514 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