Chemical ID: 7260324

CC(C(=O)N1CCCC1)Nc2ccc3c(c2)OCCO3
Chemical ID:
7260324
Name [?]:
2-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylamino)-1-pyrrolidin-1-yl-propan-1-one
SMILES [?]:
CC(C(=O)N1CCCC1)Nc2ccc3c(c2)OCCO3
InChi [?]:
InChI=1/C15H20N2O3/c1-11(15(18)17-6-2-3-7-17)16-12-4-5-13-14(10-12)20-9-8-19-13/h4-5,10-11,16H,2-3,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,12,13,6,9,19,18,16,2,11,14,15,3,10,5,4,20,17/E:(2,3)(6,7)/rA:20cCCCONCCCCNCCCCCCOCCO/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s2;s10;s11;d12;s13;d14;d11s15;s15;s17;s18;s14s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20N2O3
All Atoms:40
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:7.62754
Area:462.424
Solvation:-3.93306
Coulombic:-44.1872
Bond Count [?]
All:22
Single:18
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:276.331
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.63
LogP (Chemaxon):0.97

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