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
-1.9382 -1.4644 0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3653 -0.1406 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1380 0.9155 -0.2309 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0728 -0.0325 -0.2664 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6671 1.0665 -0.5642 N 0 0 0 0 0 4 0 0 0 0 0 0
2.0777 0.7954 -0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2584 -0.4258 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0148 -1.0811 -0.1432 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4281 -2.3005 -0.2763 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0071 -1.4900 -0.0657 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8749 -1.6789 1.3415 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7863 1.9053 -0.4795 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2286 0.8554 -0.1011 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2234 2.0096 -0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4345 0.6868 -1.6959 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5925 1.6345 -0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3477 -0.2214 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0775 -1.0338 -0.2360 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