ChemDB: Chemical Search
Download
Chemical ID: 6712566
Chemical ID:
6712566
Name [?]:
N-(5,5-dimethyl-2-oxo-tetrahydrofuran-3-yl)acetamide
SMILES [?]:
CC(=O)NC1CC(OC1=O)(C)C
InChi [?]:
InChI=1/C8H13NO3/c1-5(10)9-6-4-8(2,3)12-7(6)11/h6H,4H2,1-3H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,11,12,6,2,5,9,7,4,3,10,8/E:(2,3)/rA:12cCCONCCCOCOCC/rB:s1;d2;s2;s4;s5;s6;s7;s5s8;d9;s7;s7;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H13NO3 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.63369 |
Area: | 336.41 |
Solvation: | -3.77657 |
Coulombic: | -37.0292 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 171.194 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.97 |
LogP (Chemaxon): | -0.65 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|