3-methylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one

C11H18N2O2 — CID 121207248

IUPAC3-methylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one
SMILESCN1CCC2(CC3CCC(C2)N3)OC1=O
InChIInChI=1S/C11H18N2O2/c1-13-5-4-11(15-10(13)14)6-8-2-3-9(7-11)12-8/h8-9,12H,2-7H2,1H3
InChIKeyQJRXLEGFQSYHCL-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.11
Rot. Bonds

About 3-methylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one

3-methylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one (PubChem CID 121207248) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-methylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one.

Molecular Properties

Compound Name3-methylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one
PubChem CID121207248
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-methylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one
SMILESCN1CCC2(CC3CCC(C2)N3)OC1=O
InChIInChI=1S/C11H18N2O2/c1-13-5-4-11(15-10(13)14)6-8-2-3-9(7-11)12-8/h8-9,12H,2-7H2,1H3
InChIKeyQJRXLEGFQSYHCL-UHFFFAOYSA-N
XLogP1.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one?
The IUPAC name of 3-methylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one (CID 121207248) is 3-methylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one.
What is the SMILES notation for 3-methylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one?
The canonical SMILES for 3-methylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one is CN1CCC2(CC3CCC(C2)N3)OC1=O.
What is the InChIKey of 3-methylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one?
The InChIKey is QJRXLEGFQSYHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-13-5-4-11(15-10(13)14)6-8-2-3-9(7-11)12-8/h8-9,12H,2-7H2,1H3.
What are the key properties of 3-methylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one?
3-methylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one has a molecular weight of 210.28 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one is sourced from PubChem (CID 121207248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).