1-(1-benzofuran-3-yl)-6-methyl-8-azabicyclo[3.2.1]octane

C16H19NO — CID 86344297

IUPAC1-(1-benzofuran-3-yl)-6-methyl-8-azabicyclo[3.2.1]octane
SMILESCC1CC2(c3coc4ccccc34)CCCC1N2
InChIInChI=1S/C16H19NO/c1-11-9-16(8-4-6-14(11)17-16)13-10-18-15-7-3-2-5-12(13)15/h2-3,5,7,10-11,14,17H,4,6,8-9H2,1H3
InChIKeySVXDSTCONCQMBJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.81
Rot. Bonds1

About 1-(1-benzofuran-3-yl)-6-methyl-8-azabicyclo[3.2.1]octane

1-(1-benzofuran-3-yl)-6-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 86344297) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-6-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-6-methyl-8-azabicyclo[3.2.1]octane
PubChem CID86344297
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(1-benzofuran-3-yl)-6-methyl-8-azabicyclo[3.2.1]octane
SMILESCC1CC2(c3coc4ccccc34)CCCC1N2
InChIInChI=1S/C16H19NO/c1-11-9-16(8-4-6-14(11)17-16)13-10-18-15-7-3-2-5-12(13)15/h2-3,5,7,10-11,14,17H,4,6,8-9H2,1H3
InChIKeySVXDSTCONCQMBJ-UHFFFAOYSA-N
XLogP3.81
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-6-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 1-(1-benzofuran-3-yl)-6-methyl-8-azabicyclo[3.2.1]octane (CID 86344297) is 1-(1-benzofuran-3-yl)-6-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-6-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 1-(1-benzofuran-3-yl)-6-methyl-8-azabicyclo[3.2.1]octane is CC1CC2(c3coc4ccccc34)CCCC1N2.
What is the InChIKey of 1-(1-benzofuran-3-yl)-6-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is SVXDSTCONCQMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11-9-16(8-4-6-14(11)17-16)13-10-18-15-7-3-2-5-12(13)15/h2-3,5,7,10-11,14,17H,4,6,8-9H2,1H3.
What are the key properties of 1-(1-benzofuran-3-yl)-6-methyl-8-azabicyclo[3.2.1]octane?
1-(1-benzofuran-3-yl)-6-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 241.33 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 1-(1-benzofuran-3-yl)-6-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 86344297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).