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
2.2421 -0.7730 0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3596 0.3367 -0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8555 1.4391 -0.6436 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0760 0.1887 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7201 -0.8360 0.4802 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.1362 -0.6087 0.4864 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2883 0.5542 -0.4714 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0152 1.1828 -0.3347 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0248 -1.7214 -0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3164 -0.4767 0.1076 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0918 -0.9261 1.3458 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2732 2.2913 -0.9552 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9261 1.5254 -0.7551 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1792 -1.6907 0.7957 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4087 -0.2989 1.5323 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7254 -1.4922 0.1785 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4332 0.1285 -1.4756 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1072 1.1770 -0.1113 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