Chemical ID: 3951241

Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)N3CCCC3
Chemical ID:
3951241
Name [?]:
8-methyl-5-(pyrrolidin-1-ylcarbonylmethyl)-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)N3CCCC3
InChi [?]:
InChI=1/C15H18N2O3/c1-11-4-5-13-12(8-11)17(15(19)10-20-13)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:1,18,19,3,4,17,20,7,13,11,2,6,5,14,9,16,8,15,10,12/E:(2,3)(6,7)/rA:20nCCCCCCCNCOCOCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;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:7.11505
Area:455.1
Solvation:-4.26247
Coulombic:-40.0025
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

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Descriptor Annotations

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