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
-2.2788 -0.8463 -0.4086 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3608 0.2735 -0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8309 1.4916 -0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0675 -0.0046 0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9750 0.8637 0.3889 N 0 0 0 0 0 4 0 0 0 0 0 0
2.2456 0.1910 0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0265 -1.0864 -0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6258 -1.2970 0.0278 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2488 -0.4557 -0.7776 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5004 -1.4534 0.4867 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7975 -1.4981 -1.1559 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1770 2.3108 0.2187 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8767 1.6751 -0.1616 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7777 1.8954 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5284 0.0247 1.5804 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0165 0.8356 0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5676 -1.8967 0.2985 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2402 -1.0233 -1.3015 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