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
2.2369 0.9783 -0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3453 -0.1191 0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8617 -1.1553 0.7555 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0894 -0.0871 -0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9487 -0.9740 0.2306 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.2459 -0.5322 -0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0664 0.9653 -0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7210 0.9896 -0.7704 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6555 1.9303 -0.3622 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6019 0.8155 -1.3691 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0912 1.1496 0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2659 -1.9797 1.1017 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9383 -1.2168 0.9512 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7150 -1.8790 0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3950 -0.9114 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0615 -0.8368 0.4806 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9855 1.3825 0.7682 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7682 1.4802 -0.9065 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