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
2.3134 0.7393 0.3152 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3548 -0.2333 -0.2824 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8428 -1.3482 -0.7587 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0872 0.0715 -0.3241 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9729 -0.7114 -0.8200 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.2602 -0.0823 -0.6853 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0455 0.8977 0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6749 1.2523 0.1720 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5086 0.5081 1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9075 1.7737 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3156 0.6700 -0.1821 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1938 -2.1082 -1.2125 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8851 -1.6135 -0.7503 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7900 -1.6688 -1.2594 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0456 -0.8449 -0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5643 0.4706 -1.5965 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7145 1.7680 0.2448 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1666 0.4591 1.4310 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