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
-2.1098 1.2280 0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3777 0.0281 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0517 -1.0517 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0733 -0.0017 -0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8087 -0.9794 -0.5161 N 0 0 0 0 0 4 0 0 0 0 0 0
2.2033 -0.6025 -0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1725 0.5694 0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8857 1.1048 0.1840 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7450 1.0248 1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6813 1.7238 -0.3502 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3683 2.0038 0.8129 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1237 -1.0483 -0.2307 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5901 -1.9700 -0.6633 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4548 -1.9284 -0.8099 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8678 -1.3992 -0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4921 -0.1730 -1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1090 0.1906 1.5365 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9806 1.2807 0.3193 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