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
-1.9591 1.2101 -0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3863 0.0572 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0941 -0.7463 0.9403 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0422 -0.2255 0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8613 0.4488 -0.6956 N 0 0 0 0 0 4 0 0 0 0 0 0
2.1785 -0.1353 -0.5953 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0795 -0.8681 0.7247 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7201 -1.2974 0.6401 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4538 1.3851 -1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8692 2.1392 0.0519 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0182 0.9667 -0.7818 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1519 -0.5198 1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6970 -1.5831 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5697 1.3030 -1.2569 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9867 0.6172 -0.6029 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 -0.8832 -1.4019 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1492 -0.1501 1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7733 -1.7186 0.7929 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