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Chemical ID: 4308828
Chemical ID:
4308828
Name [?]:
4-[2-amino-2-(3,5-dimethyl-2,6-dioxo-cyclohexylidene)-ethyl]piperidine-2,6-dione
SMILES [?]:
CC1CC(C(=O)C(=C(CC2CC(=O)NC(=O)C2)N)C1=O)C
InChi [?]:
InChI=1/C15H20N2O4/c1-7-3-8(2)15(21)13(14(7)20)10(16)4-9-5-11(18)17-12(19)6-9/h7-9H,3-6,16H2,1-2H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,3,9,11,17,2,4,10,8,12,15,7,19,5,18,14,13,16,20,6/E:(1,2)(5,6)(7,8)(11,12)(14,15)(18,19)(20,21)/rA:21cCCCCCOCCCCCCONCOCNCOC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;s10;s11;d12;s12;s14;d15;s10s15;s8;s2s7;d19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.998 |
Area: | 470.162 |
Solvation: | -4.75605 |
Coulombic: | -57.3598 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 292.33 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | -1.04 |
LogP (Chemaxon): | -0.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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