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
-2.2378 0.9132 0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3516 -0.2084 0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8337 -1.4264 0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0549 0.0186 -0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9146 -0.8879 -0.4880 N 0 0 0 0 0 4 0 0 0 0 0 0
2.2145 -0.2810 -0.7057 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0741 0.9844 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6997 1.2812 -0.1840 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9807 0.6700 1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6401 1.7619 0.8164 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7752 1.2612 -0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1794 -2.2639 -0.1843 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8912 -1.6043 0.2746 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7597 -1.9132 -0.5746 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0468 -0.9137 -0.3853 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2851 0.0445 -1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7411 1.7869 -0.2035 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0991 0.7769 1.2053 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