ethane;spiro[2-benzofuran-3,4'-piperidine]-1-one

C14H19NO2 — CID 90737087

IUPACethane;spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCC.O=C1OC2(CCNCC2)c2ccccc21
InChIInChI=1S/C12H13NO2.C2H6/c14-11-9-3-1-2-4-10(9)12(15-11)5-7-13-8-6-12;1-2/h1-4,13H,5-8H2;1-2H3
InChIKeyOHXRUIYGVQMPAZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.46
Rot. Bonds

About ethane;spiro[2-benzofuran-3,4'-piperidine]-1-one

ethane;spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 90737087) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethane;spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Nameethane;spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID90737087
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethane;spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCC.O=C1OC2(CCNCC2)c2ccccc21
InChIInChI=1S/C12H13NO2.C2H6/c14-11-9-3-1-2-4-10(9)12(15-11)5-7-13-8-6-12;1-2/h1-4,13H,5-8H2;1-2H3
InChIKeyOHXRUIYGVQMPAZ-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of ethane;spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 90737087) is ethane;spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for ethane;spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for ethane;spiro[2-benzofuran-3,4'-piperidine]-1-one is CC.O=C1OC2(CCNCC2)c2ccccc21.
What is the InChIKey of ethane;spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is OHXRUIYGVQMPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2.C2H6/c14-11-9-3-1-2-4-10(9)12(15-11)5-7-13-8-6-12;1-2/h1-4,13H,5-8H2;1-2H3.
What are the key properties of ethane;spiro[2-benzofuran-3,4'-piperidine]-1-one?
ethane;spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 90737087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).