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
-2.0990 1.2661 -0.2455 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3405 -0.0103 -0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9934 -1.0861 -0.6623 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0661 -0.0347 0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8192 -1.0780 0.1484 N 0 0 0 0 0 4 0 0 0 0 0 0
2.1354 -0.6958 0.6003 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1783 0.7752 0.2537 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8078 1.0918 0.5570 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4583 2.1364 -0.0426 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6475 1.4405 -1.1894 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8392 1.2179 0.5894 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0088 -1.1114 -0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4455 -2.0145 -0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5037 -2.0545 -0.1285 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1523 -0.8075 1.7071 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9408 -1.2634 0.1027 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8697 1.3341 0.9075 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3590 0.8942 -0.8175 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