Chemical ID: 3951244

Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)N3CCCCC3
Chemical ID:
3951244
Name [?]:
8-methyl-5-(1-piperidylcarbonylmethyl)-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)N3CCCCC3
InChi [?]:
InChI=1/C16H20N2O3/c1-12-5-6-14-13(9-12)18(16(20)11-21-14)10-15(19)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,3,4,17,21,7,13,11,2,6,5,14,9,16,8,15,10,12/E:(3,4)(7,8)/rA:21nCCCCCCCNCOCOCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;d14;s14;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.57587
Area:469.687
Solvation:-4.16632
Coulombic:-40.3158
Bond Count [?]
All:23
Single:18
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:288.342
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.41
LogP (Chemaxon):0.96

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Descriptor Annotations

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