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
2.2749 -0.7413 -0.1031 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3525 0.3573 0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8240 1.5259 0.5838 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1142 0.2073 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6738 -0.8796 -0.3954 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.1114 -0.7632 -0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3409 0.5301 0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0656 1.1879 0.2326 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1613 -0.6122 0.5764 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6623 -0.7203 -1.1526 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8214 -1.7516 0.0381 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1326 2.3574 0.7914 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8586 1.6986 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1125 -1.7609 -0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6579 -1.6086 -0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3752 -0.5629 -1.5526 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5900 0.3350 1.3551 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0460 1.2012 -0.2173 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