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
2.3033 0.8410 -0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3528 -0.2880 -0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8118 -1.4990 0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0733 0.0087 -0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9863 -0.8822 -0.0028 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.2795 -0.2742 -0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9795 1.1827 0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6150 1.2684 -0.2374 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4107 1.0468 -1.2335 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8935 1.7798 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3051 0.5908 0.2976 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1453 -2.3348 0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8742 -1.6653 0.1656 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8162 -1.9414 0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7786 -0.4285 -1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8870 -0.6541 0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0435 1.4680 1.2163 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6379 1.7812 -0.4938 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