Chemical ID: 3966174

CC1CC(C(=O)C(C1)C(CC2CC(=O)NC(=O)C2)O)C
Chemical ID:
3966174
Name [?]:
4-[2-(3,5-dimethyl-2-oxo-cyclohexyl)-2-hydroxy-ethyl]piperidine-2,6-dione
SMILES [?]:
CC1CC(C(=O)C(C1)C(CC2CC(=O)NC(=O)C2)O)C
InChi [?]:
InChI=1/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,3,8,10,12,18,2,4,11,7,9,13,16,5,15,19,14,17,6/E:(6,7)(13,14)(18,19)/rA:20cCCCCCOCCCCCCCONCOCOC/rB:s1;s2;s3;s4;d5;s5;s2s7;s7;s9;s10;s11;s12;d13;s13;s15;d16;s11s16;s9;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23NO4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:4
ZAP Information [?]
Total:7.31591
Area:468.161
Solvation:-4.38812
Coulombic:-51.3001
Bond Count [?]
All:21
Single:18
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:281.347
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.33
LogP (Chemaxon):1.22

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Descriptor Annotations

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