9-azabicyclo[3.3.1]nonan-3-yl(2,3-dihydro-1-benzofuran-5-yl)methanone

C17H21NO2 — CID 171945869

IUPAC9-azabicyclo[3.3.1]nonan-3-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)C1CC2CCCC(C1)N2
InChIInChI=1S/C17H21NO2/c19-17(12-4-5-16-11(8-12)6-7-20-16)13-9-14-2-1-3-15(10-13)18-14/h4-5,8,13-15,18H,1-3,6-7,9-10H2
InChIKeyJBRAPLQWUJKZQU-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.72
Rot. Bonds2

About 9-azabicyclo[3.3.1]nonan-3-yl(2,3-dihydro-1-benzofuran-5-yl)methanone

9-azabicyclo[3.3.1]nonan-3-yl(2,3-dihydro-1-benzofuran-5-yl)methanone (PubChem CID 171945869) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 9-azabicyclo[3.3.1]nonan-3-yl(2,3-dihydro-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name9-azabicyclo[3.3.1]nonan-3-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
PubChem CID171945869
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name9-azabicyclo[3.3.1]nonan-3-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)C1CC2CCCC(C1)N2
InChIInChI=1S/C17H21NO2/c19-17(12-4-5-16-11(8-12)6-7-20-16)13-9-14-2-1-3-15(10-13)18-14/h4-5,8,13-15,18H,1-3,6-7,9-10H2
InChIKeyJBRAPLQWUJKZQU-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945875
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone
CID 116568338
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 171945871
2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid
CID 116918567
9-azabicyclo[3.3.1]nonan-3-yl(2,1,3-benzoxadiazol-5-yl)methanone
CID 171945695
3,4-dihydro-2H-chromen-6-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 106892569
2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 62718081
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
cyclobutyl(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 43159932
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
9-azabicyclo[3.3.1]nonan-3-yl-(4-ethylphenyl)methanone
CID 171944685

Frequently Asked Questions

What is the IUPAC name of 9-azabicyclo[3.3.1]nonan-3-yl(2,3-dihydro-1-benzofuran-5-yl)methanone?
The IUPAC name of 9-azabicyclo[3.3.1]nonan-3-yl(2,3-dihydro-1-benzofuran-5-yl)methanone (CID 171945869) is 9-azabicyclo[3.3.1]nonan-3-yl(2,3-dihydro-1-benzofuran-5-yl)methanone.
What is the SMILES notation for 9-azabicyclo[3.3.1]nonan-3-yl(2,3-dihydro-1-benzofuran-5-yl)methanone?
The canonical SMILES for 9-azabicyclo[3.3.1]nonan-3-yl(2,3-dihydro-1-benzofuran-5-yl)methanone is O=C(c1ccc2c(c1)CCO2)C1CC2CCCC(C1)N2.
What is the InChIKey of 9-azabicyclo[3.3.1]nonan-3-yl(2,3-dihydro-1-benzofuran-5-yl)methanone?
The InChIKey is JBRAPLQWUJKZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-17(12-4-5-16-11(8-12)6-7-20-16)13-9-14-2-1-3-15(10-13)18-14/h4-5,8,13-15,18H,1-3,6-7,9-10H2.
What are the key properties of 9-azabicyclo[3.3.1]nonan-3-yl(2,3-dihydro-1-benzofuran-5-yl)methanone?
9-azabicyclo[3.3.1]nonan-3-yl(2,3-dihydro-1-benzofuran-5-yl)methanone has a molecular weight of 271.36 g/mol, XLogP of 2.72, 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(2,3-dihydro-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 171945869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).