(1S,5S,6R)-6-hydroxy-8-azabicyclo[3.2.1]octan-3-one

C7H11NO2 — CID 131000469

IUPAC(1S,5S,6R)-6-hydroxy-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1C[C@@H]2C[C@@H](O)[C@H](C1)N2
InChIInChI=1S/C7H11NO2/c9-5-1-4-2-7(10)6(3-5)8-4/h4,6-8,10H,1-3H2/t4-,6+,7-/m1/s1
InChIKeyCNMIFIRTNBIWJM-PRMYIZFSSA-N
MW141.17 g/mol
LogP-0.56
Rot. Bonds

About (1S,5S,6R)-6-hydroxy-8-azabicyclo[3.2.1]octan-3-one

(1S,5S,6R)-6-hydroxy-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 131000469) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (1S,5S,6R)-6-hydroxy-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(1S,5S,6R)-6-hydroxy-8-azabicyclo[3.2.1]octan-3-one
PubChem CID131000469
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(1S,5S,6R)-6-hydroxy-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1C[C@@H]2C[C@@H](O)[C@H](C1)N2
InChIInChI=1S/C7H11NO2/c9-5-1-4-2-7(10)6(3-5)8-4/h4,6-8,10H,1-3H2/t4-,6+,7-/m1/s1
InChIKeyCNMIFIRTNBIWJM-PRMYIZFSSA-N
XLogP-0.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5S,6R)-6-hydroxy-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of (1S,5S,6R)-6-hydroxy-8-azabicyclo[3.2.1]octan-3-one (CID 131000469) is (1S,5S,6R)-6-hydroxy-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (1S,5S,6R)-6-hydroxy-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (1S,5S,6R)-6-hydroxy-8-azabicyclo[3.2.1]octan-3-one is O=C1C[C@@H]2C[C@@H](O)[C@H](C1)N2.
What is the InChIKey of (1S,5S,6R)-6-hydroxy-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is CNMIFIRTNBIWJM-PRMYIZFSSA-N. The full InChI is InChI=1S/C7H11NO2/c9-5-1-4-2-7(10)6(3-5)8-4/h4,6-8,10H,1-3H2/t4-,6+,7-/m1/s1.
What are the key properties of (1S,5S,6R)-6-hydroxy-8-azabicyclo[3.2.1]octan-3-one?
(1S,5S,6R)-6-hydroxy-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 141.17 g/mol, XLogP of -0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6R)-6-hydroxy-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 131000469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).