9-azabicyclo[3.3.1]nonan-3-yl(1-benzofuran-3-yl)methanone

C17H19NO2 — CID 171945820

IUPAC9-azabicyclo[3.3.1]nonan-3-yl(1-benzofuran-3-yl)methanone
SMILESO=C(c1coc2ccccc12)C1CC2CCCC(C1)N2
InChIInChI=1S/C17H19NO2/c19-17(11-8-12-4-3-5-13(9-11)18-12)15-10-20-16-7-2-1-6-14(15)16/h1-2,6-7,10-13,18H,3-5,8-9H2
InChIKeyGGFWFZODOZVMFL-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.54
Rot. Bonds2

About 9-azabicyclo[3.3.1]nonan-3-yl(1-benzofuran-3-yl)methanone

9-azabicyclo[3.3.1]nonan-3-yl(1-benzofuran-3-yl)methanone (PubChem CID 171945820) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 9-azabicyclo[3.3.1]nonan-3-yl(1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name9-azabicyclo[3.3.1]nonan-3-yl(1-benzofuran-3-yl)methanone
PubChem CID171945820
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name9-azabicyclo[3.3.1]nonan-3-yl(1-benzofuran-3-yl)methanone
SMILESO=C(c1coc2ccccc12)C1CC2CCCC(C1)N2
InChIInChI=1S/C17H19NO2/c19-17(11-8-12-4-3-5-13(9-11)18-12)15-10-20-16-7-2-1-6-14(15)16/h1-2,6-7,10-13,18H,3-5,8-9H2
InChIKeyGGFWFZODOZVMFL-UHFFFAOYSA-N
XLogP3.54
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-azabicyclo[3.2.1]octan-3-yl(1-benzofuran-3-yl)methanone
CID 171945810
1-benzofuran-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171945816
1-benzofuran-3-yl-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945822
1-benzofuran-3-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 106893049
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-1-benzofuran-3-carboxamide;hydrochloride
CID 86813060
9-azabicyclo[3.3.1]nonan-3-yl-(2-phenylphenyl)methanone
CID 171943255
8-azabicyclo[3.2.1]octan-3-yl-(4-fluoronaphthalen-1-yl)methanone
CID 171949009
anthracen-9-yl(8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171939049
1-benzofuran-3-yl(morpholin-3-yl)methanone
CID 116919658
8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone
CID 171943170
9-azabicyclo[3.3.1]nonan-3-yl-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 171949569
N-(2-bromoethyl)-N-cyclopentyl-1-benzofuran-3-carboxamide
CID 80658406

Frequently Asked Questions

What is the IUPAC name of 9-azabicyclo[3.3.1]nonan-3-yl(1-benzofuran-3-yl)methanone?
The IUPAC name of 9-azabicyclo[3.3.1]nonan-3-yl(1-benzofuran-3-yl)methanone (CID 171945820) is 9-azabicyclo[3.3.1]nonan-3-yl(1-benzofuran-3-yl)methanone.
What is the SMILES notation for 9-azabicyclo[3.3.1]nonan-3-yl(1-benzofuran-3-yl)methanone?
The canonical SMILES for 9-azabicyclo[3.3.1]nonan-3-yl(1-benzofuran-3-yl)methanone is O=C(c1coc2ccccc12)C1CC2CCCC(C1)N2.
What is the InChIKey of 9-azabicyclo[3.3.1]nonan-3-yl(1-benzofuran-3-yl)methanone?
The InChIKey is GGFWFZODOZVMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-17(11-8-12-4-3-5-13(9-11)18-12)15-10-20-16-7-2-1-6-14(15)16/h1-2,6-7,10-13,18H,3-5,8-9H2.
What are the key properties of 9-azabicyclo[3.3.1]nonan-3-yl(1-benzofuran-3-yl)methanone?
9-azabicyclo[3.3.1]nonan-3-yl(1-benzofuran-3-yl)methanone has a molecular weight of 269.34 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azabicyclo[3.3.1]nonan-3-yl(1-benzofuran-3-yl)methanone is sourced from PubChem (CID 171945820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).