Chemical ID: 6718007

CC1CCN(CC1)C(=O)CCCC(=O)[O-]
Chemical ID:
6718007
Name [?]:
5-(4-methyl-1-piperidyl)-5-oxo-pentanoate
SMILES [?]:
CC1CCN(CC1)C(=O)CCCC(=O)[O-]
InChi [?]:
InChI=1/C11H19NO3/c1-9-5-7-12(8-6-9)10(13)3-2-4-11(14)15/h9H,2-8H2,1H3,(H,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:1,11,10,12,3,7,4,6,2,8,13,5,9,14,15/E:(5,6)(7,8)(14,15)/rA:15nCCCCNCCCOCCCCOO-/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H18NO3-
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-34.8915
Area:406.653
Solvation:-45.0578
Coulombic:-12.9483
Bond Count [?]
All:15
Single:13
Double:2
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:212.266
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.47
LogP (Chemaxon):0.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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