spiro[3H-pyrano[3,2-b]pyridine-2,4'-oxane]-4-one

C12H13NO3 — CID 58233789

IUPACspiro[3H-pyrano[3,2-b]pyridine-2,4'-oxane]-4-one
SMILESO=C1CC2(CCOCC2)Oc2cccnc21
InChIInChI=1S/C12H13NO3/c14-9-8-12(3-6-15-7-4-12)16-10-2-1-5-13-11(9)10/h1-2,5H,3-4,6-8H2
InChIKeyOECCKYKNNORFNM-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.60
Rot. Bonds

About spiro[3H-pyrano[3,2-b]pyridine-2,4'-oxane]-4-one

spiro[3H-pyrano[3,2-b]pyridine-2,4'-oxane]-4-one (PubChem CID 58233789) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is spiro[3H-pyrano[3,2-b]pyridine-2,4'-oxane]-4-one.

Molecular Properties

Compound Namespiro[3H-pyrano[3,2-b]pyridine-2,4'-oxane]-4-one
PubChem CID58233789
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namespiro[3H-pyrano[3,2-b]pyridine-2,4'-oxane]-4-one
SMILESO=C1CC2(CCOCC2)Oc2cccnc21
InChIInChI=1S/C12H13NO3/c14-9-8-12(3-6-15-7-4-12)16-10-2-1-5-13-11(9)10/h1-2,5H,3-4,6-8H2
InChIKeyOECCKYKNNORFNM-UHFFFAOYSA-N
XLogP1.60
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[3H-pyrano[3,2-b]pyridine-2,4'-oxane]-4-one?
The IUPAC name of spiro[3H-pyrano[3,2-b]pyridine-2,4'-oxane]-4-one (CID 58233789) is spiro[3H-pyrano[3,2-b]pyridine-2,4'-oxane]-4-one.
What is the SMILES notation for spiro[3H-pyrano[3,2-b]pyridine-2,4'-oxane]-4-one?
The canonical SMILES for spiro[3H-pyrano[3,2-b]pyridine-2,4'-oxane]-4-one is O=C1CC2(CCOCC2)Oc2cccnc21.
What is the InChIKey of spiro[3H-pyrano[3,2-b]pyridine-2,4'-oxane]-4-one?
The InChIKey is OECCKYKNNORFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-9-8-12(3-6-15-7-4-12)16-10-2-1-5-13-11(9)10/h1-2,5H,3-4,6-8H2.
What are the key properties of spiro[3H-pyrano[3,2-b]pyridine-2,4'-oxane]-4-one?
spiro[3H-pyrano[3,2-b]pyridine-2,4'-oxane]-4-one has a molecular weight of 219.24 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3H-pyrano[3,2-b]pyridine-2,4'-oxane]-4-one is sourced from PubChem (CID 58233789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).