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
-2.4234 -0.5897 0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2968 0.3548 -0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5376 1.4817 -0.9088 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0815 0.0480 0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1112 0.7745 -0.1191 N 0 0 0 0 0 4 0 0 0 0 0 0
2.2674 0.1011 0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8028 -1.3364 0.4799 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4299 -1.1164 0.7965 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3578 -0.1537 -0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2156 -1.5532 -0.4185 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5080 -0.7057 1.1818 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5450 1.7486 -1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7589 2.1567 -1.1546 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1336 1.7136 -0.6233 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4272 0.5239 1.4451 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1664 0.2213 -0.2128 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3219 -1.9161 1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9012 -1.7531 -0.5423 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