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
-2.0994 1.2736 -0.3157 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3998 -0.0083 -0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0817 -1.1229 0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0489 0.0394 0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7616 -1.0034 0.3320 N 0 0 0 0 0 4 0 0 0 0 0 0
2.1690 -0.6909 0.4479 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2021 0.7382 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8571 1.1548 0.0374 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9688 1.8871 0.6081 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1598 1.1609 -0.5283 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6099 1.7776 -1.1904 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1494 -1.1262 -0.0956 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5992 -2.0636 0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3946 -2.0051 0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4628 -0.7587 1.5172 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7974 -1.3647 -0.1767 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4946 0.7721 -1.1242 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8799 1.3402 0.5908 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