3-(1-benzofuran-3-yl)-8-azabicyclo[3.2.1]octan-3-ol

C15H17NO2 — CID 171959994

IUPAC3-(1-benzofuran-3-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2coc3ccccc23)CC2CCC(C1)N2
InChIInChI=1S/C15H17NO2/c17-15(7-10-5-6-11(8-15)16-10)13-9-18-14-4-2-1-3-12(13)14/h1-4,9-11,16-17H,5-8H2
InChIKeyFXLVKFJGXYOMBB-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.53
Rot. Bonds1

About 3-(1-benzofuran-3-yl)-8-azabicyclo[3.2.1]octan-3-ol

3-(1-benzofuran-3-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171959994) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(1-benzofuran-3-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(1-benzofuran-3-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171959994
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-(1-benzofuran-3-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2coc3ccccc23)CC2CCC(C1)N2
InChIInChI=1S/C15H17NO2/c17-15(7-10-5-6-11(8-15)16-10)13-9-18-14-4-2-1-3-12(13)14/h1-4,9-11,16-17H,5-8H2
InChIKeyFXLVKFJGXYOMBB-UHFFFAOYSA-N
XLogP2.53
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-benzofuran-3-yl)-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

3-(1-benzofuran-3-yl)azetidin-3-ol
CID 142712047
(1R,5S)-3-(2,3-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 25132531
8-azabicyclo[3.2.1]octan-3-yl(1-benzofuran-3-yl)methanone
CID 171945810
3-isoquinolin-4-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171956096
3-(8-azabicyclo[3.2.1]octan-1-yl)chromen-4-one
CID 21186622
1-(1-benzofuran-3-yl)-6-methyl-8-azabicyclo[3.2.1]octane
CID 86344297
3-(2-propoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 104658545
[1-(1-benzofuran-3-yl)cyclobutyl]methanol
CID 116963820
9-azabicyclo[3.3.1]nonan-3-yl(1-benzofuran-3-yl)methanone
CID 171945820
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-1-benzofuran-3-carboxamide;hydrochloride
CID 86813060
7-(2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171965027
methyl 1-(1-benzofuran-3-yl)-2,2-dimethylcyclopropane-1-carboxylate
CID 116842883

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-3-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(1-benzofuran-3-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171959994) is 3-(1-benzofuran-3-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(1-benzofuran-3-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(1-benzofuran-3-yl)-8-azabicyclo[3.2.1]octan-3-ol is OC1(c2coc3ccccc23)CC2CCC(C1)N2.
What is the InChIKey of 3-(1-benzofuran-3-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is FXLVKFJGXYOMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-15(7-10-5-6-11(8-15)16-10)13-9-18-14-4-2-1-3-12(13)14/h1-4,9-11,16-17H,5-8H2.
What are the key properties of 3-(1-benzofuran-3-yl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(1-benzofuran-3-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 243.31 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-3-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171959994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).