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
2.0950 -1.1460 0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4065 -0.1328 -0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1078 0.6507 -0.9092 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0605 -0.0318 -0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8065 0.7856 -0.7142 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.2087 0.6173 -0.4094 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1755 -0.2243 0.8284 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8935 -0.8109 0.7408 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4666 -1.2690 1.6383 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0920 -2.0983 0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1245 -0.8336 0.9603 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1717 0.5690 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6519 1.3986 -1.5367 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3773 1.4829 -1.3922 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7433 1.5670 -0.2681 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6553 -0.0100 -1.2204 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2006 0.4496 1.7284 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9949 -0.9641 0.8440 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