methyl 5-methyl-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylate

C10H12N2O3 — CID 156847137

IUPACmethyl 5-methyl-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)C1CC(C)n2cncc2C1=O
InChIInChI=1S/C10H12N2O3/c1-6-3-7(10(14)15-2)9(13)8-4-11-5-12(6)8/h4-7H,3H2,1-2H3
InChIKeyOGJQEWUMYMUXIC-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.82
Rot. Bonds1

About methyl 5-methyl-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylate

methyl 5-methyl-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylate (PubChem CID 156847137) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is methyl 5-methyl-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylate
PubChem CID156847137
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Namemethyl 5-methyl-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)C1CC(C)n2cncc2C1=O
InChIInChI=1S/C10H12N2O3/c1-6-3-7(10(14)15-2)9(13)8-4-11-5-12(6)8/h4-7H,3H2,1-2H3
InChIKeyOGJQEWUMYMUXIC-UHFFFAOYSA-N
XLogP0.82
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of methyl 5-methyl-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylate (CID 156847137) is methyl 5-methyl-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-methyl-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-methyl-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylate is COC(=O)C1CC(C)n2cncc2C1=O.
What is the InChIKey of methyl 5-methyl-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylate?
The InChIKey is OGJQEWUMYMUXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6-3-7(10(14)15-2)9(13)8-4-11-5-12(6)8/h4-7H,3H2,1-2H3.
What are the key properties of methyl 5-methyl-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylate?
methyl 5-methyl-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylate has a molecular weight of 208.22 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 156847137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).