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
-2.1911 0.9595 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3580 -0.2169 -0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9766 -1.3666 -0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1077 -0.1555 -0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8034 0.9092 0.0381 N 0 0 0 0 0 4 0 0 0 0 0 0
2.2117 0.6019 -0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2101 -0.8885 0.1728 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9480 -1.2328 -0.4252 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6150 1.7348 0.6775 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6599 1.3756 -0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9778 0.6220 0.9172 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0505 -1.4714 -0.3001 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4034 -2.2565 -0.5404 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3789 1.8448 0.2568 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8442 1.1510 0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5134 0.8230 -1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0416 -1.3860 -0.3216 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1733 -1.0476 1.2697 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