7-naphthalen-2-yl-6-oxa-9-azaspiro[4.5]decane

C18H21NO — CID 65101837

IUPAC7-naphthalen-2-yl-6-oxa-9-azaspiro[4.5]decane
SMILESc1ccc2cc(C3CNCC4(CCCC4)O3)ccc2c1
InChIInChI=1S/C18H21NO/c1-2-6-15-11-16(8-7-14(15)5-1)17-12-19-13-18(20-17)9-3-4-10-18/h1-2,5-8,11,17,19H,3-4,9-10,12-13H2
InChIKeyBFWKWAAMWIWHPL-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.81
Rot. Bonds1

About 7-naphthalen-2-yl-6-oxa-9-azaspiro[4.5]decane

7-naphthalen-2-yl-6-oxa-9-azaspiro[4.5]decane (PubChem CID 65101837) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 7-naphthalen-2-yl-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name7-naphthalen-2-yl-6-oxa-9-azaspiro[4.5]decane
PubChem CID65101837
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name7-naphthalen-2-yl-6-oxa-9-azaspiro[4.5]decane
SMILESc1ccc2cc(C3CNCC4(CCCC4)O3)ccc2c1
InChIInChI=1S/C18H21NO/c1-2-6-15-11-16(8-7-14(15)5-1)17-12-19-13-18(20-17)9-3-4-10-18/h1-2,5-8,11,17,19H,3-4,9-10,12-13H2
InChIKeyBFWKWAAMWIWHPL-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 7-naphthalen-2-yl-6-oxa-9-azaspiro[4.5]decane (CID 65101837) is 7-naphthalen-2-yl-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 7-naphthalen-2-yl-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 7-naphthalen-2-yl-6-oxa-9-azaspiro[4.5]decane is c1ccc2cc(C3CNCC4(CCCC4)O3)ccc2c1.
What is the InChIKey of 7-naphthalen-2-yl-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is BFWKWAAMWIWHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-6-15-11-16(8-7-14(15)5-1)17-12-19-13-18(20-17)9-3-4-10-18/h1-2,5-8,11,17,19H,3-4,9-10,12-13H2.
What are the key properties of 7-naphthalen-2-yl-6-oxa-9-azaspiro[4.5]decane?
7-naphthalen-2-yl-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 267.37 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yl-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 65101837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).