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
-2.0815 1.1847 0.5285 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3680 0.0365 -0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0837 -0.9775 -0.4982 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0908 0.0340 -0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8140 -0.9039 -0.6070 N 0 0 0 0 0 4 0 0 0 0 0 0
2.1992 -0.5268 -0.4968 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1579 0.4605 0.6456 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8991 1.0906 0.3397 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1156 0.9724 0.7999 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5597 1.4645 1.4905 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9967 2.1126 -0.1013 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6157 -1.8461 -0.9333 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1618 -0.9914 -0.4524 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4131 -1.8003 -1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4698 -0.0100 -1.4398 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8611 -1.3901 -0.2837 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9879 1.1906 0.6191 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0896 -0.1002 1.5787 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