Chemical ID: 5238187

CCCCOC1=NC2C(CNC2=O)CO1
Chemical ID:
5238187
Name [?]:
3-butoxy-4-oxa-2,8-diazabicyclo[4.3.0]non-2-en-9-one
SMILES [?]:
CCCCOC1=NC2C(CNC2=O)CO1
InChi [?]:
InChI=1/C10H16N2O3/c1-2-3-4-14-10-12-8-7(6-15-10)5-11-9(8)13/h7-8H,2-6H2,1H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,10,14,9,8,12,6,11,7,13,5,15/rA:15cCCCCOCNCCCNCOCO/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s8s11;d12;s9;s6s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H16N2O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:5.83036
Area:393.629
Solvation:-4.01037
Coulombic:-45.5299
Bond Count [?]
All:16
Single:14
Double:2
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:212.246
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.82
LogP (Chemaxon):0.77

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Descriptor Annotations

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