Metabolite N-desmethylzopiclone

Name
N-desmethylzopiclone
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 374.782
Monoisotopic: 374.089416083
Chemical Formula
C16H15ClN6O3
InChI Key
CGSFZSTXVVJLIX-UHFFFAOYSA-N
InChI
InChI=1S/C16H15ClN6O3/c17-10-1-2-11(21-9-10)23-14(24)12-13(20-4-3-19-12)15(23)26-16(25)22-7-5-18-6-8-22/h1-4,9,15,18H,5-8H2
IUPAC Name
6-(5-chloropyridin-2-yl)-7-oxo-5H,6H,7H-pyrrolo[3,4-b]pyrazin-5-yl piperazine-1-carboxylate
SMILES
ClC1=CN=C(C=C1)N1C(OC(=O)N2CCNCC2)C2=NC=CN=C2C1=O
Reactions
Human Metabolome Database
HMDB0060541
ChemSpider
143002
Predicted Properties
PropertyValueSource
Water Solubility0.279 mg/mLALOGPS
logP0.66ALOGPS
logP0.42ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)13.04ChemAxon
pKa (Strongest Basic)7.81ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area100.55 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity90.59 m3·mol-1ChemAxon
Polarizability36.07 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon