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
-2.1883 0.9066 0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3025 -0.2905 0.3829 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7295 -1.4135 0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0639 -0.2258 -0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6158 0.8155 -0.6786 N 0 0 0 0 0 4 0 0 0 0 0 0
1.9714 0.4891 -1.0417 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2761 -0.6376 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9865 -1.2764 -0.0766 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4163 1.1688 -0.7656 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5764 1.7597 0.6893 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0737 0.8275 0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7459 -1.4481 1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0880 -2.2762 1.0004 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1229 1.7337 -0.8259 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6708 1.3373 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9448 0.0791 -2.0704 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4068 -0.2396 0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0617 -1.3095 -0.4133 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