Chemical ID: 4586483

Cc1ccc(cc1)N2C(=O)C3CCC(C2=O)(C3(C)C)C
Chemical ID:
4586483
Name [?]:
5,8,8-trimethyl-3-(p-tolyl)-3-azabicyclo[3.2.1]octane-2,4-dione
SMILES [?]:
Cc1ccc(cc1)N2C(=O)C3CCC(C2=O)(C3(C)C)C
InChi [?]:
InChI=1/C17H21NO2/c1-11-5-7-12(8-6-11)18-14(19)13-9-10-17(4,15(18)20)16(13,2)3/h5-8,13H,9-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,19,20,3,7,4,6,12,13,2,5,11,9,15,17,14,8,10,16/E:(2,3)(5,6)(7,8)/rA:20cCCCCCCCNCOCCCCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s8s14;d15;s11s14;s17;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:8.37176
Area:436.557
Solvation:-2.54217
Coulombic:-25.7194
Bond Count [?]
All:22
Single:17
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:271.354
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.09
LogP (Chemaxon):3.77

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Descriptor Annotations

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