6,8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione

C13H16N2O3 — CID 118613740

IUPAC6,8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
SMILESCc1cc(C)c(=O)n2c1C(=O)NC21CCOCC1
InChIInChI=1S/C13H16N2O3/c1-8-7-9(2)12(17)15-10(8)11(16)14-13(15)3-5-18-6-4-13/h7H,3-6H2,1-2H3,(H,14,16)
InChIKeyOVYQOWQWRNVNOI-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.67
Rot. Bonds

About 6,8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione

6,8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione (PubChem CID 118613740) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 6,8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione.

Molecular Properties

Compound Name6,8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
PubChem CID118613740
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name6,8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
SMILESCc1cc(C)c(=O)n2c1C(=O)NC21CCOCC1
InChIInChI=1S/C13H16N2O3/c1-8-7-9(2)12(17)15-10(8)11(16)14-13(15)3-5-18-6-4-13/h7H,3-6H2,1-2H3,(H,14,16)
InChIKeyOVYQOWQWRNVNOI-UHFFFAOYSA-N
XLogP0.67
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The IUPAC name of 6,8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione (CID 118613740) is 6,8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione.
What is the SMILES notation for 6,8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The canonical SMILES for 6,8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione is Cc1cc(C)c(=O)n2c1C(=O)NC21CCOCC1.
What is the InChIKey of 6,8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The InChIKey is OVYQOWQWRNVNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-7-9(2)12(17)15-10(8)11(16)14-13(15)3-5-18-6-4-13/h7H,3-6H2,1-2H3,(H,14,16).
What are the key properties of 6,8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
6,8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione has a molecular weight of 248.28 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione is sourced from PubChem (CID 118613740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).