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
-2.3114 0.6920 0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3269 -0.4063 -0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8028 -1.6007 -0.3286 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1061 -0.2003 0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6586 0.9327 0.3830 N 0 0 0 0 0 4 0 0 0 0 0 0
2.0959 0.7849 0.4649 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3177 -0.5145 -0.2775 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1003 -1.1914 -0.0185 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6227 0.6959 1.1879 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7973 1.6473 -0.0999 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1938 0.5462 -0.5575 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8573 -1.8030 -0.4523 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1080 -2.4129 -0.4411 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1353 1.8344 0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6376 1.6279 -0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3399 0.7014 1.5495 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1741 -1.0656 0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4546 -0.2679 -1.3469 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