6-hydroxy-1,5-diazabicyclo[3.2.1]octan-8-one

C6H10N2O2 — CID 134612949

IUPAC6-hydroxy-1,5-diazabicyclo[3.2.1]octan-8-one
SMILESO=C1N2CCCN1C(O)C2
InChIInChI=1S/C6H10N2O2/c9-5-4-7-2-1-3-8(5)6(7)10/h5,9H,1-4H2
InChIKeySPJSCEXHCFPRTF-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.55
Rot. Bonds

About 6-hydroxy-1,5-diazabicyclo[3.2.1]octan-8-one

6-hydroxy-1,5-diazabicyclo[3.2.1]octan-8-one (PubChem CID 134612949) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 6-hydroxy-1,5-diazabicyclo[3.2.1]octan-8-one.

Molecular Properties

Compound Name6-hydroxy-1,5-diazabicyclo[3.2.1]octan-8-one
PubChem CID134612949
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name6-hydroxy-1,5-diazabicyclo[3.2.1]octan-8-one
SMILESO=C1N2CCCN1C(O)C2
InChIInChI=1S/C6H10N2O2/c9-5-4-7-2-1-3-8(5)6(7)10/h5,9H,1-4H2
InChIKeySPJSCEXHCFPRTF-UHFFFAOYSA-N
XLogP-0.55
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,5-diazabicyclo[3.2.1]octan-8-one?
The IUPAC name of 6-hydroxy-1,5-diazabicyclo[3.2.1]octan-8-one (CID 134612949) is 6-hydroxy-1,5-diazabicyclo[3.2.1]octan-8-one.
What is the SMILES notation for 6-hydroxy-1,5-diazabicyclo[3.2.1]octan-8-one?
The canonical SMILES for 6-hydroxy-1,5-diazabicyclo[3.2.1]octan-8-one is O=C1N2CCCN1C(O)C2.
What is the InChIKey of 6-hydroxy-1,5-diazabicyclo[3.2.1]octan-8-one?
The InChIKey is SPJSCEXHCFPRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c9-5-4-7-2-1-3-8(5)6(7)10/h5,9H,1-4H2.
What are the key properties of 6-hydroxy-1,5-diazabicyclo[3.2.1]octan-8-one?
6-hydroxy-1,5-diazabicyclo[3.2.1]octan-8-one has a molecular weight of 142.16 g/mol, XLogP of -0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,5-diazabicyclo[3.2.1]octan-8-one is sourced from PubChem (CID 134612949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).