8-(phenylmethoxymethyl)-1-azabicyclo[3.3.1]nonan-4-one

C16H21NO2 — CID 11777346

IUPAC8-(phenylmethoxymethyl)-1-azabicyclo[3.3.1]nonan-4-one
SMILESO=C1CCN2CC1CCC2COCc1ccccc1
InChIInChI=1S/C16H21NO2/c18-16-8-9-17-10-14(16)6-7-15(17)12-19-11-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2
InChIKeyYULISQCDWDGIGY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.26
Rot. Bonds4

About 8-(phenylmethoxymethyl)-1-azabicyclo[3.3.1]nonan-4-one

8-(phenylmethoxymethyl)-1-azabicyclo[3.3.1]nonan-4-one (PubChem CID 11777346) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 8-(phenylmethoxymethyl)-1-azabicyclo[3.3.1]nonan-4-one.

Molecular Properties

Compound Name8-(phenylmethoxymethyl)-1-azabicyclo[3.3.1]nonan-4-one
PubChem CID11777346
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name8-(phenylmethoxymethyl)-1-azabicyclo[3.3.1]nonan-4-one
SMILESO=C1CCN2CC1CCC2COCc1ccccc1
InChIInChI=1S/C16H21NO2/c18-16-8-9-17-10-14(16)6-7-15(17)12-19-11-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2
InChIKeyYULISQCDWDGIGY-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(phenylmethoxymethyl)-1-azabicyclo[3.3.1]nonan-4-one?
The IUPAC name of 8-(phenylmethoxymethyl)-1-azabicyclo[3.3.1]nonan-4-one (CID 11777346) is 8-(phenylmethoxymethyl)-1-azabicyclo[3.3.1]nonan-4-one.
What is the SMILES notation for 8-(phenylmethoxymethyl)-1-azabicyclo[3.3.1]nonan-4-one?
The canonical SMILES for 8-(phenylmethoxymethyl)-1-azabicyclo[3.3.1]nonan-4-one is O=C1CCN2CC1CCC2COCc1ccccc1.
What is the InChIKey of 8-(phenylmethoxymethyl)-1-azabicyclo[3.3.1]nonan-4-one?
The InChIKey is YULISQCDWDGIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-16-8-9-17-10-14(16)6-7-15(17)12-19-11-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2.
What are the key properties of 8-(phenylmethoxymethyl)-1-azabicyclo[3.3.1]nonan-4-one?
8-(phenylmethoxymethyl)-1-azabicyclo[3.3.1]nonan-4-one has a molecular weight of 259.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(phenylmethoxymethyl)-1-azabicyclo[3.3.1]nonan-4-one is sourced from PubChem (CID 11777346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).