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
2.1475 1.1794 0.2272 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3766 -0.0706 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9924 -1.2322 -0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0728 -0.0237 -0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8641 -1.0184 -0.3094 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.2301 -0.5342 -0.3594 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1447 0.7884 0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8069 1.1595 -0.0193 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5215 1.2698 1.2654 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9961 1.2147 -0.4789 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5078 2.0608 0.0457 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4868 -2.1545 -0.2622 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0737 -1.2706 -0.0159 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5230 -2.0105 -0.4109 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9169 -1.2287 0.1636 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5567 -0.3412 -1.4182 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8119 1.5561 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1751 0.6558 1.4606 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