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

C16H17NO2 — CID 171945810

IUPAC8-azabicyclo[3.2.1]octan-3-yl(1-benzofuran-3-yl)methanone
SMILESO=C(c1coc2ccccc12)C1CC2CCC(C1)N2
InChIInChI=1S/C16H17NO2/c18-16(10-7-11-5-6-12(8-10)17-11)14-9-19-15-4-2-1-3-13(14)15/h1-4,9-12,17H,5-8H2
InChIKeyFXRBGPWCWOFUOC-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.15
Rot. Bonds2

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

8-azabicyclo[3.2.1]octan-3-yl(1-benzofuran-3-yl)methanone (PubChem CID 171945810) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-yl(1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl(1-benzofuran-3-yl)methanone
PubChem CID171945810
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl(1-benzofuran-3-yl)methanone
SMILESO=C(c1coc2ccccc12)C1CC2CCC(C1)N2
InChIInChI=1S/C16H17NO2/c18-16(10-7-11-5-6-12(8-10)17-11)14-9-19-15-4-2-1-3-13(14)15/h1-4,9-12,17H,5-8H2
InChIKeyFXRBGPWCWOFUOC-UHFFFAOYSA-N
XLogP3.15
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-azabicyclo[3.3.1]nonan-3-yl(1-benzofuran-3-yl)methanone
CID 171945820
1-benzofuran-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171945816
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-1-benzofuran-3-carboxamide;hydrochloride
CID 86813060
1-benzofuran-3-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 106893049
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-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945822
8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone
CID 171943170
1-benzofuran-3-yl(morpholin-3-yl)methanone
CID 116919658
8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone
CID 171944503
3-(1-benzofuran-3-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171959994
cyclopropyl-(5-hydroxy-1-benzofuran-3-yl)methanone
CID 760965

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl(1-benzofuran-3-yl)methanone?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl(1-benzofuran-3-yl)methanone (CID 171945810) is 8-azabicyclo[3.2.1]octan-3-yl(1-benzofuran-3-yl)methanone.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl(1-benzofuran-3-yl)methanone?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl(1-benzofuran-3-yl)methanone is O=C(c1coc2ccccc12)C1CC2CCC(C1)N2.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl(1-benzofuran-3-yl)methanone?
The InChIKey is FXRBGPWCWOFUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-16(10-7-11-5-6-12(8-10)17-11)14-9-19-15-4-2-1-3-13(14)15/h1-4,9-12,17H,5-8H2.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl(1-benzofuran-3-yl)methanone?
8-azabicyclo[3.2.1]octan-3-yl(1-benzofuran-3-yl)methanone has a molecular weight of 255.32 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-yl(1-benzofuran-3-yl)methanone is sourced from PubChem (CID 171945810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).