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
-2.1286 0.7406 -0.8074 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3919 -0.0996 0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0596 -0.7372 1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0515 -0.1853 0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8301 0.3903 -0.8108 N 0 0 0 0 0 4 0 0 0 0 0 0
2.2045 0.0281 -0.5549 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1620 -0.4129 0.8785 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8326 -0.9602 0.9355 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2260 0.6780 -0.6729 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8007 1.7979 -0.6734 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8334 0.3645 -1.8304 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5261 -1.3476 1.7999 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1284 -0.6878 1.1938 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5028 1.0252 -1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5985 -0.7330 -1.2425 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7903 0.9847 -0.6001 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2428 0.4042 1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8798 -1.2499 1.0607 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