2-naphthalen-1-yl-1-oxa-4-azaspiro[5.5]undecane

C19H23NO — CID 65103698

IUPAC2-naphthalen-1-yl-1-oxa-4-azaspiro[5.5]undecane
SMILESc1ccc2c(C3CNCC4(CCCCC4)O3)cccc2c1
InChIInChI=1S/C19H23NO/c1-4-11-19(12-5-1)14-20-13-18(21-19)17-10-6-8-15-7-2-3-9-16(15)17/h2-3,6-10,18,20H,1,4-5,11-14H2
InChIKeyYOOYBBIQWSEPJU-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.20
Rot. Bonds1

About 2-naphthalen-1-yl-1-oxa-4-azaspiro[5.5]undecane

2-naphthalen-1-yl-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 65103698) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-naphthalen-1-yl-1-oxa-4-azaspiro[5.5]undecane
PubChem CID65103698
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-naphthalen-1-yl-1-oxa-4-azaspiro[5.5]undecane
SMILESc1ccc2c(C3CNCC4(CCCCC4)O3)cccc2c1
InChIInChI=1S/C19H23NO/c1-4-11-19(12-5-1)14-20-13-18(21-19)17-10-6-8-15-7-2-3-9-16(15)17/h2-3,6-10,18,20H,1,4-5,11-14H2
InChIKeyYOOYBBIQWSEPJU-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 2-naphthalen-1-yl-1-oxa-4-azaspiro[5.5]undecane (CID 65103698) is 2-naphthalen-1-yl-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 2-naphthalen-1-yl-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 2-naphthalen-1-yl-1-oxa-4-azaspiro[5.5]undecane is c1ccc2c(C3CNCC4(CCCCC4)O3)cccc2c1.
What is the InChIKey of 2-naphthalen-1-yl-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is YOOYBBIQWSEPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-4-11-19(12-5-1)14-20-13-18(21-19)17-10-6-8-15-7-2-3-9-16(15)17/h2-3,6-10,18,20H,1,4-5,11-14H2.
What are the key properties of 2-naphthalen-1-yl-1-oxa-4-azaspiro[5.5]undecane?
2-naphthalen-1-yl-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 281.40 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 65103698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).