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
-2.2450 0.9254 -0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3931 -0.2705 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9731 -1.4513 -0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0651 -0.1744 -0.0708 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7662 0.8975 -0.1529 N 0 0 0 0 0 4 0 0 0 0 0 0
2.1837 0.6563 -0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2646 -0.8405 -0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9326 -1.2274 0.1297 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1986 0.6631 -0.8831 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5169 1.4216 0.5854 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7477 1.6654 -1.0549 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0572 -1.5096 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3626 -2.3338 0.0933 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4206 1.8938 -0.3061 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5777 1.0150 0.9573 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7148 1.1042 -0.8782 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5938 -1.1889 -1.1253 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9750 -1.2460 0.6074 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