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Chemical ID: 3967495
Chemical ID:
3967495
Name [?]:
3,3-diethyl-5-methyl-piperidine-2,4-dione
SMILES [?]:
CCC1(C(=O)C(CNC1=O)C)CC
InChi [?]:
InChI=1/C10H17NO2/c1-4-10(5-2)8(12)7(3)6-11-9(10)13/h7H,4-6H2,1-3H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,13,11,2,12,7,6,4,9,3,8,5,10/E:(1,2)(4,5)/rA:13cCCCCOCCNCOCCC/rB:s1;s2;s3;d4;s4;s6;s7;s3s8;d9;s6;s3;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H17NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.31198 |
Area: | 337.233 |
Solvation: | -2.11884 |
Coulombic: | -28.8749 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 183.248 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.15 |
LogP (Chemaxon): | 2.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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