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
-1.9778 -1.4102 -0.5782 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3729 -0.2102 0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1430 0.5911 0.7946 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0482 0.0948 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6742 1.0921 0.4845 N 0 0 0 0 0 4 0 0 0 0 0 0
2.0791 1.0241 0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2739 -0.3746 -0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9220 -0.6992 -0.7670 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2679 -1.2170 -1.6158 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1914 -2.1939 -0.5969 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8223 -1.7854 0.0474 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1927 0.3653 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7381 1.4518 1.2761 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2523 1.8323 1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7103 1.2246 0.9852 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2834 1.7160 -0.7477 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5856 -1.0897 0.3569 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8771 -0.4118 -1.3384 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