magnesium azepan-2-one

C6H11MgNO+2 — CID 18987030

IUPACmagnesium azepan-2-one
SMILESO=C1CCCCCN1.[Mg+2]
InChIInChI=1S/C6H11NO.Mg/c8-6-4-2-1-3-5-7-6;/h1-5H2,(H,7,8);/q;+2
InChIKeySANHIQUUFYBCSZ-UHFFFAOYSA-N
MW137.47 g/mol
LogP0.30
Rot. Bonds

About magnesium azepan-2-one

magnesium azepan-2-one (PubChem CID 18987030) has the molecular formula C6H11MgNO+2 and a molecular weight of 137.47 g/mol. Its IUPAC name is magnesium azepan-2-one.

Molecular Properties

Compound Namemagnesium azepan-2-one
PubChem CID18987030
Molecular FormulaC6H11MgNO+2
Molecular Weight137.47 g/mol
Exact Mass137.07
IUPAC Namemagnesium azepan-2-one
SMILESO=C1CCCCCN1.[Mg+2]
InChIInChI=1S/C6H11NO.Mg/c8-6-4-2-1-3-5-7-6;/h1-5H2,(H,7,8);/q;+2
InChIKeySANHIQUUFYBCSZ-UHFFFAOYSA-N
XLogP0.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.47
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azepan-2-one;cyclohexane
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azocan-2-one
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azacyclotetracosan-2-one
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azepan-2-one;pyrrolidin-2-one
CID 22023756
bis(azepan-2-one);dihydrochloride
CID 158190902
CID 70405773
CID 70405773
CID 176950935
CID 176950935
azepan-2-one;ethane
CID 91592472
dimagnesium;oxygen(2-);piperidin-2-one;chloride;hexahydrate
CID 172812864
piperidin-2-one;dihydrate
CID 78060658
CID 77217086
CID 77217086
CID 172816971
CID 172816971

Frequently Asked Questions

What is the IUPAC name of magnesium azepan-2-one?
The IUPAC name of magnesium azepan-2-one (CID 18987030) is magnesium azepan-2-one.
What is the SMILES notation for magnesium azepan-2-one?
The canonical SMILES for magnesium azepan-2-one is O=C1CCCCCN1.[Mg+2].
What is the InChIKey of magnesium azepan-2-one?
The InChIKey is SANHIQUUFYBCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.Mg/c8-6-4-2-1-3-5-7-6;/h1-5H2,(H,7,8);/q;+2.
What are the key properties of magnesium azepan-2-one?
magnesium azepan-2-one has a molecular weight of 137.47 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium azepan-2-one is sourced from PubChem (CID 18987030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).