8-(1,2,3,4,5,6-hexahydronaphthalen-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane

C16H23NO — CID 156837988

IUPAC8-(1,2,3,4,5,6-hexahydronaphthalen-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESC1=CC2=C(CC1)CCC(N1C3CCC1COC3)C2
InChIInChI=1S/C16H23NO/c1-2-4-13-9-14(6-5-12(13)3-1)17-15-7-8-16(17)11-18-10-15/h2,4,14-16H,1,3,5-11H2
InChIKeyRAMBSTZMVHCBHR-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.05
Rot. Bonds1

About 8-(1,2,3,4,5,6-hexahydronaphthalen-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane

8-(1,2,3,4,5,6-hexahydronaphthalen-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 156837988) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 8-(1,2,3,4,5,6-hexahydronaphthalen-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(1,2,3,4,5,6-hexahydronaphthalen-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID156837988
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name8-(1,2,3,4,5,6-hexahydronaphthalen-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESC1=CC2=C(CC1)CCC(N1C3CCC1COC3)C2
InChIInChI=1S/C16H23NO/c1-2-4-13-9-14(6-5-12(13)3-1)17-15-7-8-16(17)11-18-10-15/h2,4,14-16H,1,3,5-11H2
InChIKeyRAMBSTZMVHCBHR-UHFFFAOYSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(1,2,3,4,5,6-hexahydronaphthalen-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(1,2,3,4,5,6-hexahydronaphthalen-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane (CID 156837988) is 8-(1,2,3,4,5,6-hexahydronaphthalen-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(1,2,3,4,5,6-hexahydronaphthalen-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(1,2,3,4,5,6-hexahydronaphthalen-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane is C1=CC2=C(CC1)CCC(N1C3CCC1COC3)C2.
What is the InChIKey of 8-(1,2,3,4,5,6-hexahydronaphthalen-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is RAMBSTZMVHCBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-4-13-9-14(6-5-12(13)3-1)17-15-7-8-16(17)11-18-10-15/h2,4,14-16H,1,3,5-11H2.
What are the key properties of 8-(1,2,3,4,5,6-hexahydronaphthalen-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
8-(1,2,3,4,5,6-hexahydronaphthalen-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 245.37 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,2,3,4,5,6-hexahydronaphthalen-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 156837988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).