2,6-diazabicyclo[3.2.1]octan-7-one

C6H10N2O — CID 59202076

IUPAC2,6-diazabicyclo[3.2.1]octan-7-one
SMILESO=C1NC2CCNC1C2
InChIInChI=1S/C6H10N2O/c9-6-5-3-4(8-6)1-2-7-5/h4-5,7H,1-3H2,(H,8,9)
InChIKeyHKYILJYPUXYXKL-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.76
Rot. Bonds

About 2,6-diazabicyclo[3.2.1]octan-7-one

2,6-diazabicyclo[3.2.1]octan-7-one (PubChem CID 59202076) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2,6-diazabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name2,6-diazabicyclo[3.2.1]octan-7-one
PubChem CID59202076
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2,6-diazabicyclo[3.2.1]octan-7-one
SMILESO=C1NC2CCNC1C2
InChIInChI=1S/C6H10N2O/c9-6-5-3-4(8-6)1-2-7-5/h4-5,7H,1-3H2,(H,8,9)
InChIKeyHKYILJYPUXYXKL-UHFFFAOYSA-N
XLogP-0.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-diazabicyclo[3.2.1]octan-7-one?
The IUPAC name of 2,6-diazabicyclo[3.2.1]octan-7-one (CID 59202076) is 2,6-diazabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for 2,6-diazabicyclo[3.2.1]octan-7-one?
The canonical SMILES for 2,6-diazabicyclo[3.2.1]octan-7-one is O=C1NC2CCNC1C2.
What is the InChIKey of 2,6-diazabicyclo[3.2.1]octan-7-one?
The InChIKey is HKYILJYPUXYXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c9-6-5-3-4(8-6)1-2-7-5/h4-5,7H,1-3H2,(H,8,9).
What are the key properties of 2,6-diazabicyclo[3.2.1]octan-7-one?
2,6-diazabicyclo[3.2.1]octan-7-one has a molecular weight of 126.16 g/mol, XLogP of -0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diazabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 59202076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).