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

C21H23NO — CID 58946066

IUPAC8'-benzylspiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]
SMILESc1ccc(CN2C3CCC2CC2(C3)OCc3ccccc32)cc1
InChIInChI=1S/C21H23NO/c1-2-6-16(7-3-1)14-22-18-10-11-19(22)13-21(12-18)20-9-5-4-8-17(20)15-23-21/h1-9,18-19H,10-15H2
InChIKeyXQOBBGNCMDAMRK-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.24
Rot. Bonds2

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

8'-benzylspiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane] (PubChem CID 58946066) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 8'-benzylspiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane].

Molecular Properties

Compound Name8'-benzylspiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]
PubChem CID58946066
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name8'-benzylspiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]
SMILESc1ccc(CN2C3CCC2CC2(C3)OCc3ccccc32)cc1
InChIInChI=1S/C21H23NO/c1-2-6-16(7-3-1)14-22-18-10-11-19(22)13-21(12-18)20-9-5-4-8-17(20)15-23-21/h1-9,18-19H,10-15H2
InChIKeyXQOBBGNCMDAMRK-UHFFFAOYSA-N
XLogP4.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8'-benzylspiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]?
The IUPAC name of 8'-benzylspiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane] (CID 58946066) is 8'-benzylspiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane].
What is the SMILES notation for 8'-benzylspiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]?
The canonical SMILES for 8'-benzylspiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane] is c1ccc(CN2C3CCC2CC2(C3)OCc3ccccc32)cc1.
What is the InChIKey of 8'-benzylspiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]?
The InChIKey is XQOBBGNCMDAMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-2-6-16(7-3-1)14-22-18-10-11-19(22)13-21(12-18)20-9-5-4-8-17(20)15-23-21/h1-9,18-19H,10-15H2.
What are the key properties of 8'-benzylspiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]?
8'-benzylspiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane] has a molecular weight of 305.42 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-benzylspiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane] is sourced from PubChem (CID 58946066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).