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
-2.4198 -0.2702 0.5483 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3402 -0.0651 -0.4617 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5747 0.1504 -1.7237 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0810 -0.1050 -0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1129 0.0509 -0.7762 N 0 0 0 0 0 4 0 0 0 0 0 0
2.3251 -0.0587 0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7627 0.2622 1.4289 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4895 -0.3256 1.2801 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2497 -1.2155 1.0946 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3786 -0.3114 0.0099 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4155 0.5442 1.2971 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7807 0.2918 -2.4128 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5942 0.1831 -2.0595 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1215 0.2278 -1.7915 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7615 -1.0551 0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0462 0.7182 -0.2677 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7537 1.3268 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2993 -0.3488 2.1990 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