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
2.2020 -0.9637 -0.2684 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3860 0.2652 -0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0088 1.4140 -0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0656 0.1601 -0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7641 -0.9051 -0.1427 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.1853 -0.6216 -0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2549 0.8767 -0.2247 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9290 1.2646 0.0538 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2725 -0.7838 -0.1907 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9435 -1.3700 -1.2893 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9116 -1.7325 0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4671 2.3396 0.0504 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0792 1.4491 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3968 -1.8783 -0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6381 -1.0572 -0.9969 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6554 -0.9928 0.8524 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9004 1.3571 0.5419 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4812 1.1787 -1.2523 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