(5S)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one

C6H10N2O2 — CID 93499930

IUPAC(5S)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESO=C1N2CCC[C@@H](C2)N1O
InChIInChI=1S/C6H10N2O2/c9-6-7-3-1-2-5(4-7)8(6)10/h5,10H,1-4H2/t5-/m0/s1
InChIKeyYGORNMQZCZZCQF-YFKPBYRVSA-N
MW142.16 g/mol
LogP0.28
Rot. Bonds

About (5S)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one

(5S)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one (PubChem CID 93499930) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is (5S)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name(5S)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
PubChem CID93499930
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name(5S)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESO=C1N2CCC[C@@H](C2)N1O
InChIInChI=1S/C6H10N2O2/c9-6-7-3-1-2-5(4-7)8(6)10/h5,10H,1-4H2/t5-/m0/s1
InChIKeyYGORNMQZCZZCQF-YFKPBYRVSA-N
XLogP0.28
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 ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one?
The IUPAC name of (5S)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one (CID 93499930) is (5S)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for (5S)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one?
The canonical SMILES for (5S)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one is O=C1N2CCC[C@@H](C2)N1O.
What is the InChIKey of (5S)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one?
The InChIKey is YGORNMQZCZZCQF-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10N2O2/c9-6-7-3-1-2-5(4-7)8(6)10/h5,10H,1-4H2/t5-/m0/s1.
What are the key properties of (5S)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one?
(5S)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one has a molecular weight of 142.16 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 93499930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).