(1R,5S)-1'-phenylmethoxyspiro[6-oxabicyclo[3.1.0]hexane-3,3'-piperidine]-2'-one

C16H19NO3 — CID 71535762

IUPAC(1R,5S)-1'-phenylmethoxyspiro[6-oxabicyclo[3.1.0]hexane-3,3'-piperidine]-2'-one
SMILESO=C1N(OCc2ccccc2)CCCC12C[C@@H]1O[C@@H]1C2
InChIInChI=1S/C16H19NO3/c18-15-16(9-13-14(10-16)20-13)7-4-8-17(15)19-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2/t13-,14+,16?
InChIKeyCFFVQBIZIPWRAH-MZBDJJRSSA-N
MW273.33 g/mol
LogP2.29
Rot. Bonds3

About (1R,5S)-1'-phenylmethoxyspiro[6-oxabicyclo[3.1.0]hexane-3,3'-piperidine]-2'-one

(1R,5S)-1'-phenylmethoxyspiro[6-oxabicyclo[3.1.0]hexane-3,3'-piperidine]-2'-one (PubChem CID 71535762) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (1R,5S)-1'-phenylmethoxyspiro[6-oxabicyclo[3.1.0]hexane-3,3'-piperidine]-2'-one.

Molecular Properties

Compound Name(1R,5S)-1'-phenylmethoxyspiro[6-oxabicyclo[3.1.0]hexane-3,3'-piperidine]-2'-one
PubChem CID71535762
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(1R,5S)-1'-phenylmethoxyspiro[6-oxabicyclo[3.1.0]hexane-3,3'-piperidine]-2'-one
SMILESO=C1N(OCc2ccccc2)CCCC12C[C@@H]1O[C@@H]1C2
InChIInChI=1S/C16H19NO3/c18-15-16(9-13-14(10-16)20-13)7-4-8-17(15)19-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2/t13-,14+,16?
InChIKeyCFFVQBIZIPWRAH-MZBDJJRSSA-N
XLogP2.29
TPSA42.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1'-phenylmethoxyspiro[6-oxabicyclo[3.1.0]hexane-3,3'-piperidine]-2'-one?
The IUPAC name of (1R,5S)-1'-phenylmethoxyspiro[6-oxabicyclo[3.1.0]hexane-3,3'-piperidine]-2'-one (CID 71535762) is (1R,5S)-1'-phenylmethoxyspiro[6-oxabicyclo[3.1.0]hexane-3,3'-piperidine]-2'-one.
What is the SMILES notation for (1R,5S)-1'-phenylmethoxyspiro[6-oxabicyclo[3.1.0]hexane-3,3'-piperidine]-2'-one?
The canonical SMILES for (1R,5S)-1'-phenylmethoxyspiro[6-oxabicyclo[3.1.0]hexane-3,3'-piperidine]-2'-one is O=C1N(OCc2ccccc2)CCCC12C[C@@H]1O[C@@H]1C2.
What is the InChIKey of (1R,5S)-1'-phenylmethoxyspiro[6-oxabicyclo[3.1.0]hexane-3,3'-piperidine]-2'-one?
The InChIKey is CFFVQBIZIPWRAH-MZBDJJRSSA-N. The full InChI is InChI=1S/C16H19NO3/c18-15-16(9-13-14(10-16)20-13)7-4-8-17(15)19-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2/t13-,14+,16?.
What are the key properties of (1R,5S)-1'-phenylmethoxyspiro[6-oxabicyclo[3.1.0]hexane-3,3'-piperidine]-2'-one?
(1R,5S)-1'-phenylmethoxyspiro[6-oxabicyclo[3.1.0]hexane-3,3'-piperidine]-2'-one has a molecular weight of 273.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1'-phenylmethoxyspiro[6-oxabicyclo[3.1.0]hexane-3,3'-piperidine]-2'-one is sourced from PubChem (CID 71535762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).