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

C12H14N2O3 — CID 150104789

IUPAC8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
SMILESCc1ccc(=O)n2c1C(=O)NC21CCOCC1
InChIInChI=1S/C12H14N2O3/c1-8-2-3-9(15)14-10(8)11(16)13-12(14)4-6-17-7-5-12/h2-3H,4-7H2,1H3,(H,13,16)
InChIKeyDWAAYTFEEPZAFD-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.36
Rot. Bonds

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

8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione (PubChem CID 150104789) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione.

Molecular Properties

Compound Name8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
PubChem CID150104789
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
SMILESCc1ccc(=O)n2c1C(=O)NC21CCOCC1
InChIInChI=1S/C12H14N2O3/c1-8-2-3-9(15)14-10(8)11(16)13-12(14)4-6-17-7-5-12/h2-3H,4-7H2,1H3,(H,13,16)
InChIKeyDWAAYTFEEPZAFD-UHFFFAOYSA-N
XLogP0.36
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The IUPAC name of 8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione (CID 150104789) is 8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione.
What is the SMILES notation for 8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The canonical SMILES for 8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione is Cc1ccc(=O)n2c1C(=O)NC21CCOCC1.
What is the InChIKey of 8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The InChIKey is DWAAYTFEEPZAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8-2-3-9(15)14-10(8)11(16)13-12(14)4-6-17-7-5-12/h2-3H,4-7H2,1H3,(H,13,16).
What are the key properties of 8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione has a molecular weight of 234.25 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione is sourced from PubChem (CID 150104789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).