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Chemical ID: 6659221
Chemical ID:
6659221
Name [?]:
1-(4-methyl-1-piperidyl)butane-1,3-dione
SMILES [?]:
CC1CCN(CC1)C(=O)CC(=O)C
InChi [?]:
InChI=1/C10H17NO2/c1-8-3-5-11(6-4-8)10(13)7-9(2)12/h8H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,3,7,4,6,10,2,11,8,5,12,9/E:(3,4)(5,6)/rA:13nCCCCNCCCOCCOC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H17NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.7034 |
Area: | 357.441 |
Solvation: | -4.23263 |
Coulombic: | -19.3612 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 183.248 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.27 |
LogP (Chemaxon): | 0.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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