spiro[furo[3,4-b]pyridine-7,2'-oxane]-5-one

C11H11NO3 — CID 101490348

IUPACspiro[furo[3,4-b]pyridine-7,2'-oxane]-5-one
SMILESO=C1OC2(CCCCO2)c2ncccc21
InChIInChI=1S/C11H11NO3/c13-10-8-4-3-6-12-9(8)11(15-10)5-1-2-7-14-11/h3-4,6H,1-2,5,7H2
InChIKeyLUKGRFQAIGLRSV-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.61
Rot. Bonds

About spiro[furo[3,4-b]pyridine-7,2'-oxane]-5-one

spiro[furo[3,4-b]pyridine-7,2'-oxane]-5-one (PubChem CID 101490348) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is spiro[furo[3,4-b]pyridine-7,2'-oxane]-5-one.

Molecular Properties

Compound Namespiro[furo[3,4-b]pyridine-7,2'-oxane]-5-one
PubChem CID101490348
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namespiro[furo[3,4-b]pyridine-7,2'-oxane]-5-one
SMILESO=C1OC2(CCCCO2)c2ncccc21
InChIInChI=1S/C11H11NO3/c13-10-8-4-3-6-12-9(8)11(15-10)5-1-2-7-14-11/h3-4,6H,1-2,5,7H2
InChIKeyLUKGRFQAIGLRSV-UHFFFAOYSA-N
XLogP1.61
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[furo[3,4-b]pyridine-7,2'-oxane]-5-one?
The IUPAC name of spiro[furo[3,4-b]pyridine-7,2'-oxane]-5-one (CID 101490348) is spiro[furo[3,4-b]pyridine-7,2'-oxane]-5-one.
What is the SMILES notation for spiro[furo[3,4-b]pyridine-7,2'-oxane]-5-one?
The canonical SMILES for spiro[furo[3,4-b]pyridine-7,2'-oxane]-5-one is O=C1OC2(CCCCO2)c2ncccc21.
What is the InChIKey of spiro[furo[3,4-b]pyridine-7,2'-oxane]-5-one?
The InChIKey is LUKGRFQAIGLRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10-8-4-3-6-12-9(8)11(15-10)5-1-2-7-14-11/h3-4,6H,1-2,5,7H2.
What are the key properties of spiro[furo[3,4-b]pyridine-7,2'-oxane]-5-one?
spiro[furo[3,4-b]pyridine-7,2'-oxane]-5-one has a molecular weight of 205.21 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[furo[3,4-b]pyridine-7,2'-oxane]-5-one is sourced from PubChem (CID 101490348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).