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
2.1061 1.1191 0.6218 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3870 0.0131 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0954 -0.9525 -0.5872 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0712 0.0559 -0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8143 -0.8373 -0.6609 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.2082 -0.4745 -0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1631 0.4532 0.6768 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8825 1.0629 0.4449 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1979 1.0290 0.5125 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7886 1.0661 1.7038 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7157 2.0711 0.2114 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6128 -1.7688 -1.0866 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1737 -0.9677 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4219 -1.6902 -1.1394 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7636 -1.3869 -0.2223 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6294 0.0073 -1.4149 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9066 1.2610 0.5316 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2166 -0.0607 1.6311 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