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
-2.2523 0.8759 0.6587 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3630 -0.1756 0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8954 -1.1713 -0.6017 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0950 -0.0450 0.2344 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9370 -0.8832 -0.2363 N 0 0 0 0 0 4 0 0 0 0 0 0
2.2598 -0.4498 0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0676 1.0280 0.3626 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7428 0.9910 0.9254 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6897 1.8076 0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7010 0.5326 1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0580 1.0395 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2788 -1.9329 -1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9592 -1.2334 -0.7101 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7615 -1.7629 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9998 -0.6481 -0.6756 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5329 -0.9738 1.0784 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7956 1.4511 1.0808 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0054 1.5501 -0.5910 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