(1'S,5'R)-spiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one

C10H16N2O2 — CID 129499691

IUPAC(1'S,5'R)-spiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one
SMILESO=C1NCCC2(C[C@H]3CC[C@@H](C2)N3)O1
InChIInChI=1S/C10H16N2O2/c13-9-11-4-3-10(14-9)5-7-1-2-8(6-10)12-7/h7-8,12H,1-6H2,(H,11,13)/t7-,8+,10?
InChIKeyLDTSIAMZQLCOFX-JWHQNHQBSA-N
MW196.25 g/mol
LogP0.77
Rot. Bonds

About (1'S,5'R)-spiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one

(1'S,5'R)-spiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one (PubChem CID 129499691) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (1'S,5'R)-spiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one.

Molecular Properties

Compound Name(1'S,5'R)-spiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one
PubChem CID129499691
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(1'S,5'R)-spiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one
SMILESO=C1NCCC2(C[C@H]3CC[C@@H](C2)N3)O1
InChIInChI=1S/C10H16N2O2/c13-9-11-4-3-10(14-9)5-7-1-2-8(6-10)12-7/h7-8,12H,1-6H2,(H,11,13)/t7-,8+,10?
InChIKeyLDTSIAMZQLCOFX-JWHQNHQBSA-N
XLogP0.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1'S,5'R)-spiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one?
The IUPAC name of (1'S,5'R)-spiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one (CID 129499691) is (1'S,5'R)-spiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one.
What is the SMILES notation for (1'S,5'R)-spiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one?
The canonical SMILES for (1'S,5'R)-spiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one is O=C1NCCC2(C[C@H]3CC[C@@H](C2)N3)O1.
What is the InChIKey of (1'S,5'R)-spiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one?
The InChIKey is LDTSIAMZQLCOFX-JWHQNHQBSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-9-11-4-3-10(14-9)5-7-1-2-8(6-10)12-7/h7-8,12H,1-6H2,(H,11,13)/t7-,8+,10?.
What are the key properties of (1'S,5'R)-spiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one?
(1'S,5'R)-spiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one has a molecular weight of 196.25 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,5'R)-spiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one is sourced from PubChem (CID 129499691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).