Chemical ID: 6712566

CC(=O)NC1CC(OC1=O)(C)C
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

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Experimental Annotations

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Descriptor Annotations

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