8'-benzylspiro[2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]-1-one

C21H21NO2 — CID 58946072

IUPAC8'-benzylspiro[2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]-1-one
SMILESO=C1OC2(CC3CCC(C2)N3Cc2ccccc2)c2ccccc21
InChIInChI=1S/C21H21NO2/c23-20-18-8-4-5-9-19(18)21(24-20)12-16-10-11-17(13-21)22(16)14-15-6-2-1-3-7-15/h1-9,16-17H,10-14H2
InChIKeyOXRBIESGXZICFG-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.88
Rot. Bonds2

About 8'-benzylspiro[2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]-1-one

8'-benzylspiro[2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]-1-one (PubChem CID 58946072) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 8'-benzylspiro[2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]-1-one.

Molecular Properties

Compound Name8'-benzylspiro[2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]-1-one
PubChem CID58946072
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name8'-benzylspiro[2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]-1-one
SMILESO=C1OC2(CC3CCC(C2)N3Cc2ccccc2)c2ccccc21
InChIInChI=1S/C21H21NO2/c23-20-18-8-4-5-9-19(18)21(24-20)12-16-10-11-17(13-21)22(16)14-15-6-2-1-3-7-15/h1-9,16-17H,10-14H2
InChIKeyOXRBIESGXZICFG-UHFFFAOYSA-N
XLogP3.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]
CID 85186782
(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 82665053
8-benzyl-8-azabicyclo[3.2.1]octan-3-one;8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 159859403
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962172
8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 83825755
(1S,5S)-3-amino-8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 98052462
3-amino-8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 66774815
8-benzyl-3-(2-ethenylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171958821
N-(8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 59134547
2-(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 83913342
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844

Frequently Asked Questions

What is the IUPAC name of 8'-benzylspiro[2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]-1-one?
The IUPAC name of 8'-benzylspiro[2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]-1-one (CID 58946072) is 8'-benzylspiro[2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]-1-one.
What is the SMILES notation for 8'-benzylspiro[2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]-1-one?
The canonical SMILES for 8'-benzylspiro[2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]-1-one is O=C1OC2(CC3CCC(C2)N3Cc2ccccc2)c2ccccc21.
What is the InChIKey of 8'-benzylspiro[2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]-1-one?
The InChIKey is OXRBIESGXZICFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c23-20-18-8-4-5-9-19(18)21(24-20)12-16-10-11-17(13-21)22(16)14-15-6-2-1-3-7-15/h1-9,16-17H,10-14H2.
What are the key properties of 8'-benzylspiro[2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]-1-one?
8'-benzylspiro[2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]-1-one has a molecular weight of 319.40 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-benzylspiro[2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]-1-one is sourced from PubChem (CID 58946072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).