spiro[2H-1-benzofuran-3,3'-piperidine]-2'-one

C12H13NO2 — CID 150627581

IUPACspiro[2H-1-benzofuran-3,3'-piperidine]-2'-one
SMILESO=C1NCCCC12COc1ccccc12
InChIInChI=1S/C12H13NO2/c14-11-12(6-3-7-13-11)8-15-10-5-2-1-4-9(10)12/h1-2,4-5H,3,6-8H2,(H,13,14)
InChIKeyIXFGGPGPUGLQDX-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.23
Rot. Bonds

About spiro[2H-1-benzofuran-3,3'-piperidine]-2'-one

spiro[2H-1-benzofuran-3,3'-piperidine]-2'-one (PubChem CID 150627581) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is spiro[2H-1-benzofuran-3,3'-piperidine]-2'-one.

Molecular Properties

Compound Namespiro[2H-1-benzofuran-3,3'-piperidine]-2'-one
PubChem CID150627581
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Namespiro[2H-1-benzofuran-3,3'-piperidine]-2'-one
SMILESO=C1NCCCC12COc1ccccc12
InChIInChI=1S/C12H13NO2/c14-11-12(6-3-7-13-11)8-15-10-5-2-1-4-9(10)12/h1-2,4-5H,3,6-8H2,(H,13,14)
InChIKeyIXFGGPGPUGLQDX-UHFFFAOYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[3H-indene-2,3'-piperidine]-1,2'-dione
CID 121207629
spiro[2H-1-benzofuran-3,3'-piperidine];hydrochloride
CID 146155745
spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-one
CID 105442633
spiro[cyclohexane-1,9'-xanthene]
CID 12861604
3,3-dibromo-2H-1-benzofuran
CID 70451620
spiro[2H-1-benzofuran-3,4'-cyclohexa-2,5-diene]-1'-one
CID 10821793
1'-methylspiro[2H-1-benzofuran-3,3'-4H-quinoline]-2'-one
CID 102292524
8,11-diazaspiro[5.6]dodecane-7,12-dione
CID 82469216
3',3'-dimethyl-2',6'-dioxospiro[2H-1-benzofuran-3,5'-cyclohexane]-1'-carbonitrile
CID 175913862
1'-methylspiro[2H-1-benzofuran-3,4'-imidazolidine]-2'-one
CID 175868133
spiro[1H-indole-3,3'-piperidine]-2-one;hydrochloride
CID 23500737
2,15-dioxa-5,12-diazabicyclo[14.4.0]icosa-1(20),16,18-triene-4,13-dione
CID 102178330

Frequently Asked Questions

What is the IUPAC name of spiro[2H-1-benzofuran-3,3'-piperidine]-2'-one?
The IUPAC name of spiro[2H-1-benzofuran-3,3'-piperidine]-2'-one (CID 150627581) is spiro[2H-1-benzofuran-3,3'-piperidine]-2'-one.
What is the SMILES notation for spiro[2H-1-benzofuran-3,3'-piperidine]-2'-one?
The canonical SMILES for spiro[2H-1-benzofuran-3,3'-piperidine]-2'-one is O=C1NCCCC12COc1ccccc12.
What is the InChIKey of spiro[2H-1-benzofuran-3,3'-piperidine]-2'-one?
The InChIKey is IXFGGPGPUGLQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-11-12(6-3-7-13-11)8-15-10-5-2-1-4-9(10)12/h1-2,4-5H,3,6-8H2,(H,13,14).
What are the key properties of spiro[2H-1-benzofuran-3,3'-piperidine]-2'-one?
spiro[2H-1-benzofuran-3,3'-piperidine]-2'-one has a molecular weight of 203.24 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2H-1-benzofuran-3,3'-piperidine]-2'-one is sourced from PubChem (CID 150627581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).