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
-2.3506 0.8226 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3728 -0.2977 0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7756 -1.5336 -0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0533 -0.0157 0.1478 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0161 -0.8684 0.1668 N 0 0 0 0 0 4 0 0 0 0 0 0
2.3044 -0.2081 0.3109 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 1.1936 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6030 1.2758 0.2762 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5408 1.1339 1.0704 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2592 0.4878 -0.4905 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8811 1.6609 -0.5312 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0642 -2.3222 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8169 -1.7477 -0.1909 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9074 -1.8976 0.0904 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0712 -0.6196 -0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6119 -0.2465 1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0217 1.2105 -1.2555 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5196 1.9718 0.3567 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