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
2.1180 -0.7821 -0.6934 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3926 0.2055 0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0465 1.1495 0.7286 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0806 0.0723 0.1866 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7979 -0.8214 -0.3843 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.1985 -0.6193 -0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1854 0.8614 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8941 0.9205 0.9028 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5128 -1.2055 -1.5208 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0346 -0.2742 -1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4293 -1.6086 -0.0192 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1182 1.1966 0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5781 1.9147 1.3429 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4178 -1.6086 -1.0033 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8601 -0.7653 -0.9452 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5356 -1.1899 0.8009 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9118 1.0247 1.1822 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3483 1.5297 -0.4992 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