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
-2.2093 0.6035 -0.9456 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3648 0.0117 0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9480 -0.4180 1.2011 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0800 -0.1252 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9008 -0.6216 0.8431 N 0 0 0 0 0 4 0 0 0 0 0 0
2.2370 -0.5480 0.3069 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1130 0.5167 -0.7444 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7679 0.3156 -1.1557 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5994 0.6950 -1.8874 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4399 1.6431 -0.6409 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1133 0.0047 -1.1787 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4158 -0.8715 2.0373 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0285 -0.3491 1.3551 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5979 -1.0147 1.7831 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9929 -0.2556 1.0618 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5282 -1.4966 -0.1812 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1565 1.5448 -0.3295 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7449 0.3650 -1.6234 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