Chemical ID: 6041905

c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)N3CCCC3
Chemical ID:
6041905
Name [?]:
5-(3-pyrrolidin-1-ylcarbonylpropyl)-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)N3CCCC3
InChi [?]:
InChI=1/C16H20N2O3/c19-15(17-9-3-4-10-17)8-5-11-18-13-6-1-2-7-14(13)21-12-16(18)20/h1-2,6-7H,3-5,8-12H2
InChi Info:
AuxInfo=1/0/N:1,2,19,20,13,6,3,14,18,21,12,10,5,4,15,8,17,7,16,9,11/E:(3,4)(9,10)/rA:21nCCCCCCNCOCOCCCCONCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s7;s12;s13;s14;d15;s15;s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.2457
Area:491.49
Solvation:-4.04156
Coulombic:-39.9637
Bond Count [?]
All:23
Single:18
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:288.342
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.13
LogP (Chemaxon):0.53

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