dimagnesium;oxygen(2-);piperidin-2-one;chloride;hexahydrate

C5H21ClMg2NO8+ — CID 172812864

IUPACdimagnesium;oxygen(2-);piperidin-2-one;chloride;hexahydrate
SMILESO.O.O.O.O.O.O=C1CCCCN1.[Cl-].[Mg+2].[Mg+2].[O-2]
InChIInChI=1S/C5H9NO.ClH.2Mg.6H2O.O/c7-5-3-1-2-4-6-5;;;;;;;;;;/h1-4H2,(H,6,7);1H;;;6*1H2;/q;;2*+2;;;;;;;-2/p-1
InChIKeySKNWCQWSNSNKOH-UHFFFAOYSA-M
MW307.29 g/mol
LogP-8.54
Rot. Bonds

About dimagnesium;oxygen(2-);piperidin-2-one;chloride;hexahydrate

dimagnesium;oxygen(2-);piperidin-2-one;chloride;hexahydrate (PubChem CID 172812864) has the molecular formula C5H21ClMg2NO8+ and a molecular weight of 307.29 g/mol. Its IUPAC name is dimagnesium;oxygen(2-);piperidin-2-one;chloride;hexahydrate.

Molecular Properties

Compound Namedimagnesium;oxygen(2-);piperidin-2-one;chloride;hexahydrate
PubChem CID172812864
Molecular FormulaC5H21ClMg2NO8+
Molecular Weight307.29 g/mol
Exact Mass306.07
IUPAC Namedimagnesium;oxygen(2-);piperidin-2-one;chloride;hexahydrate
SMILESO.O.O.O.O.O.O=C1CCCCN1.[Cl-].[Mg+2].[Mg+2].[O-2]
InChIInChI=1S/C5H9NO.ClH.2Mg.6H2O.O/c7-5-3-1-2-4-6-5;;;;;;;;;;/h1-4H2,(H,6,7);1H;;;6*1H2;/q;;2*+2;;;;;;;-2/p-1
InChIKeySKNWCQWSNSNKOH-UHFFFAOYSA-M
XLogP-8.54
TPSA246.60 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 5-8.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dimagnesium;oxygen(2-);piperidin-2-one;chloride;hexahydrate?
The IUPAC name of dimagnesium;oxygen(2-);piperidin-2-one;chloride;hexahydrate (CID 172812864) is dimagnesium;oxygen(2-);piperidin-2-one;chloride;hexahydrate.
What is the SMILES notation for dimagnesium;oxygen(2-);piperidin-2-one;chloride;hexahydrate?
The canonical SMILES for dimagnesium;oxygen(2-);piperidin-2-one;chloride;hexahydrate is O.O.O.O.O.O.O=C1CCCCN1.[Cl-].[Mg+2].[Mg+2].[O-2].
What is the InChIKey of dimagnesium;oxygen(2-);piperidin-2-one;chloride;hexahydrate?
The InChIKey is SKNWCQWSNSNKOH-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9NO.ClH.2Mg.6H2O.O/c7-5-3-1-2-4-6-5;;;;;;;;;;/h1-4H2,(H,6,7);1H;;;6*1H2;/q;;2*+2;;;;;;;-2/p-1.
What are the key properties of dimagnesium;oxygen(2-);piperidin-2-one;chloride;hexahydrate?
dimagnesium;oxygen(2-);piperidin-2-one;chloride;hexahydrate has a molecular weight of 307.29 g/mol, XLogP of -8.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;oxygen(2-);piperidin-2-one;chloride;hexahydrate is sourced from PubChem (CID 172812864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).