Chemical ID: 6659221

CC1CCN(CC1)C(=O)CC(=O)C
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

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Descriptor Annotations

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