2-naphthalen-2-yl-1-azabicyclo[2.2.2]octan-3-one

C17H17NO — CID 19383153

IUPAC2-naphthalen-2-yl-1-azabicyclo[2.2.2]octan-3-one
SMILESO=C1C2CCN(CC2)C1c1ccc2ccccc2c1
InChIInChI=1S/C17H17NO/c19-17-13-7-9-18(10-8-13)16(17)15-6-5-12-3-1-2-4-14(12)11-15/h1-6,11,13,16H,7-10H2
InChIKeyRIJLOXLZWADLIS-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.18
Rot. Bonds1

About 2-naphthalen-2-yl-1-azabicyclo[2.2.2]octan-3-one

2-naphthalen-2-yl-1-azabicyclo[2.2.2]octan-3-one (PubChem CID 19383153) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-naphthalen-2-yl-1-azabicyclo[2.2.2]octan-3-one.

Molecular Properties

Compound Name2-naphthalen-2-yl-1-azabicyclo[2.2.2]octan-3-one
PubChem CID19383153
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-naphthalen-2-yl-1-azabicyclo[2.2.2]octan-3-one
SMILESO=C1C2CCN(CC2)C1c1ccc2ccccc2c1
InChIInChI=1S/C17H17NO/c19-17-13-7-9-18(10-8-13)16(17)15-6-5-12-3-1-2-4-14(12)11-15/h1-6,11,13,16H,7-10H2
InChIKeyRIJLOXLZWADLIS-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-1-azabicyclo[2.2.2]octan-3-one?
The IUPAC name of 2-naphthalen-2-yl-1-azabicyclo[2.2.2]octan-3-one (CID 19383153) is 2-naphthalen-2-yl-1-azabicyclo[2.2.2]octan-3-one.
What is the SMILES notation for 2-naphthalen-2-yl-1-azabicyclo[2.2.2]octan-3-one?
The canonical SMILES for 2-naphthalen-2-yl-1-azabicyclo[2.2.2]octan-3-one is O=C1C2CCN(CC2)C1c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-1-azabicyclo[2.2.2]octan-3-one?
The InChIKey is RIJLOXLZWADLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-17-13-7-9-18(10-8-13)16(17)15-6-5-12-3-1-2-4-14(12)11-15/h1-6,11,13,16H,7-10H2.
What are the key properties of 2-naphthalen-2-yl-1-azabicyclo[2.2.2]octan-3-one?
2-naphthalen-2-yl-1-azabicyclo[2.2.2]octan-3-one has a molecular weight of 251.33 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-1-azabicyclo[2.2.2]octan-3-one is sourced from PubChem (CID 19383153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).