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
2.2472 1.0688 -0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3873 -0.1367 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9298 -1.3362 -0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0574 -0.0057 0.1273 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9133 -0.9735 0.1749 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.2683 -0.4703 0.2894 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0881 0.9545 -0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7562 1.2150 0.2048 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2520 0.8768 -0.3993 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3130 1.5656 0.9595 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7212 1.8002 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0020 -1.4346 -0.1367 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3405 -2.2347 -0.0236 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7141 -2.0027 0.1398 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5032 -0.3906 1.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9939 -1.0374 -0.2907 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0841 0.8899 -1.3503 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8143 1.6515 0.1717 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