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
2.3218 0.7324 -0.1852 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3727 -0.4046 -0.1459 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8592 -1.6264 -0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0905 -0.1667 -0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6837 0.9634 -0.0478 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.1125 0.8614 0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3392 -0.6021 -0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0696 -1.1468 -0.0374 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1701 0.4431 -0.8512 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6667 0.8906 0.8703 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7999 1.6357 -0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9207 -1.7988 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1450 -2.4622 -0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1697 1.8826 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4905 0.9917 1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6396 1.5298 -0.6923 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5806 -0.6380 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0804 -1.0851 0.3178 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