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
-2.3035 0.6235 0.4565 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3613 -0.1250 -0.4015 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8376 -0.8690 -1.3681 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0935 -0.0585 -0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6934 0.6300 0.7055 N 0 0 0 0 0 4 0 0 0 0 0 0
2.1328 0.4933 0.6509 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3005 -0.6971 -0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0684 -0.7087 -0.9344 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2410 0.0489 0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4972 1.6544 0.0982 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8099 0.7195 1.4566 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8985 -0.9324 -1.5324 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1956 -1.4353 -2.0229 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1732 1.2334 1.4163 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5012 0.1944 1.6502 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6296 1.3980 0.2485 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3828 -1.6489 0.3094 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1691 -0.5205 -0.9075 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