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
2.2959 -0.5508 -0.7684 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3514 -0.0975 0.3012 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7825 0.3079 1.4729 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0925 -0.1043 0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0135 0.2520 0.8630 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.3071 0.0999 0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9035 0.2049 -1.2195 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6837 -0.5150 -1.1716 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2777 -0.8223 -0.3416 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8753 -1.4792 -1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3368 0.2078 -1.5598 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1043 0.6286 2.2278 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8394 0.3137 1.6671 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8617 0.5952 1.8227 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6608 -0.9226 0.4685 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0284 0.8839 0.5257 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6475 -0.2492 -1.8962 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6648 1.2472 -1.4650 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