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
2.1229 -1.0085 -0.4407 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3699 0.1162 0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0166 1.1602 0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0996 0.0958 0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8756 -0.8480 -0.2381 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.2505 -0.4822 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1667 1.0199 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8819 1.1443 0.7034 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7239 -1.5027 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5325 -1.7548 -0.9634 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9010 -0.5936 -1.1459 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4697 1.9925 1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0883 1.1762 0.5524 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4859 -1.7224 -0.6688 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5499 -0.8564 1.0067 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9360 -0.8470 -0.7911 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0185 1.4173 -0.9584 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9603 1.4933 0.6306 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