Chemical ID: 5973013

Cc1ccc2c(c1)OCC(=O)N2CC(=O)N3CCCC3
Chemical ID:
5973013
Name [?]:
8-methyl-2-(pyrrolidin-1-ylcarbonylmethyl)-5-oxa-2-azabicyclo[4.4.0]deca-7,9,11-trien-3-one
SMILES [?]:
Cc1ccc2c(c1)OCC(=O)N2CC(=O)N3CCCC3
InChi [?]:
InChI=1/C15H18N2O3/c1-11-4-5-12-13(8-11)20-10-15(19)17(12)9-14(18)16-6-2-3-7-16/h4-5,8H,2-3,6-7,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,3,4,17,20,7,13,9,2,5,6,14,10,16,12,15,11,8/E:(2,3)(6,7)/rA:20nCCCCCCCOCCONCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s5s10;s12;s13;d14;s14;s16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.65425
Area:453.208
Solvation:-3.67595
Coulombic:-40.6812
Bond Count [?]
All:22
Single:17
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:274.315
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.05
LogP (Chemaxon):0.56

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue