spiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione

C11H12N2O3 — CID 175157178

IUPACspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
SMILESO=C1NC2(CCOCC2)n2c1cccc2=O
InChIInChI=1S/C11H12N2O3/c14-9-3-1-2-8-10(15)12-11(13(8)9)4-6-16-7-5-11/h1-3H,4-7H2,(H,12,15)
InChIKeyHXFFLHKGEFOJIE-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.05
Rot. Bonds

About spiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione

spiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione (PubChem CID 175157178) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is spiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione.

Molecular Properties

Compound Namespiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
PubChem CID175157178
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namespiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
SMILESO=C1NC2(CCOCC2)n2c1cccc2=O
InChIInChI=1S/C11H12N2O3/c14-9-3-1-2-8-10(15)12-11(13(8)9)4-6-16-7-5-11/h1-3H,4-7H2,(H,12,15)
InChIKeyHXFFLHKGEFOJIE-UHFFFAOYSA-N
XLogP0.05
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The IUPAC name of spiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione (CID 175157178) is spiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione.
What is the SMILES notation for spiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The canonical SMILES for spiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione is O=C1NC2(CCOCC2)n2c1cccc2=O.
What is the InChIKey of spiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The InChIKey is HXFFLHKGEFOJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-9-3-1-2-8-10(15)12-11(13(8)9)4-6-16-7-5-11/h1-3H,4-7H2,(H,12,15).
What are the key properties of spiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
spiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione has a molecular weight of 220.23 g/mol, XLogP of 0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione is sourced from PubChem (CID 175157178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).