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
-1.8921 1.3394 -0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3635 -0.0130 -0.2733 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1565 -1.0550 -0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0695 -0.2519 -0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9680 0.7081 -0.0969 N 0 0 0 0 0 4 0 0 0 0 0 0
2.2796 0.1305 0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8874 -1.1339 0.8515 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7045 -1.4677 0.1258 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2253 1.9664 -1.1285 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8641 1.2847 -1.0449 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0738 1.8671 0.4655 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2091 -0.9187 -0.3755 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7971 -2.0713 -0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8098 1.7218 -0.2318 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9458 0.7836 0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6968 -0.1114 -0.8855 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6501 -1.9175 0.8024 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5700 -0.8611 1.8727 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