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

C14H17NO — CID 105468819

IUPACspiro[3H-1-benzofuran-2,3'-8-azabicyclo[3.2.1]octane]
SMILESc1ccc2c(c1)CC1(CC3CCC(C1)N3)O2
InChIInChI=1S/C14H17NO/c1-2-4-13-10(3-1)7-14(16-13)8-11-5-6-12(9-14)15-11/h1-4,11-12,15H,5-9H2
InChIKeyFIFOXQRJVMGTFN-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.27
Rot. Bonds

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

spiro[3H-1-benzofuran-2,3'-8-azabicyclo[3.2.1]octane] (PubChem CID 105468819) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is spiro[3H-1-benzofuran-2,3'-8-azabicyclo[3.2.1]octane].

Molecular Properties

Compound Namespiro[3H-1-benzofuran-2,3'-8-azabicyclo[3.2.1]octane]
PubChem CID105468819
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Namespiro[3H-1-benzofuran-2,3'-8-azabicyclo[3.2.1]octane]
SMILESc1ccc2c(c1)CC1(CC3CCC(C1)N3)O2
InChIInChI=1S/C14H17NO/c1-2-4-13-10(3-1)7-14(16-13)8-11-5-6-12(9-14)15-11/h1-4,11-12,15H,5-9H2
InChIKeyFIFOXQRJVMGTFN-UHFFFAOYSA-N
XLogP2.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze spiro[3H-1-benzofuran-2,3'-8-azabicyclo[3.2.1]octane] with MolForge

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Related Compounds

spiro[3H-1-benzofuran-2,1'-cyclopropane]
CID 146627371
1'-cyclohexylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 58035370
1'-(cyclopropylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine]
CID 70607000
spiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine
CID 114709400
1'-(1-cyclobutylethyl)spiro[3H-1-benzofuran-2,4'-piperidine]
CID 66821989
ethene;spiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]
CID 143099821
(1'S,2R,4'R)-spiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one
CID 95857513
6'-methylspiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine
CID 114709631
3-(2,3-dihydro-1H-isoindol-1-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 65042082
(2S)-2-benzyl-2-methyl-3H-1-benzofuran
CID 134955555
spiro[3H-1-benzofuran-2,2'-pyrrolidine]
CID 175955599
2-tert-butyl-3H-1-benzofuran-2-carbaldehyde
CID 117046047

Frequently Asked Questions

What is the IUPAC name of spiro[3H-1-benzofuran-2,3'-8-azabicyclo[3.2.1]octane]?
The IUPAC name of spiro[3H-1-benzofuran-2,3'-8-azabicyclo[3.2.1]octane] (CID 105468819) is spiro[3H-1-benzofuran-2,3'-8-azabicyclo[3.2.1]octane].
What is the SMILES notation for spiro[3H-1-benzofuran-2,3'-8-azabicyclo[3.2.1]octane]?
The canonical SMILES for spiro[3H-1-benzofuran-2,3'-8-azabicyclo[3.2.1]octane] is c1ccc2c(c1)CC1(CC3CCC(C1)N3)O2.
What is the InChIKey of spiro[3H-1-benzofuran-2,3'-8-azabicyclo[3.2.1]octane]?
The InChIKey is FIFOXQRJVMGTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-4-13-10(3-1)7-14(16-13)8-11-5-6-12(9-14)15-11/h1-4,11-12,15H,5-9H2.
What are the key properties of spiro[3H-1-benzofuran-2,3'-8-azabicyclo[3.2.1]octane]?
spiro[3H-1-benzofuran-2,3'-8-azabicyclo[3.2.1]octane] has a molecular weight of 215.30 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3H-1-benzofuran-2,3'-8-azabicyclo[3.2.1]octane] is sourced from PubChem (CID 105468819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).