methyl 7-methyl-6-oxo-4,5-dihydrofuro[2,3-b]pyridine-2-carboxylate

C10H11NO4 — CID 45119794

IUPACmethyl 7-methyl-6-oxo-4,5-dihydrofuro[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(o1)N(C)C(=O)CC2
InChIInChI=1S/C10H11NO4/c1-11-8(12)4-3-6-5-7(10(13)14-2)15-9(6)11/h5H,3-4H2,1-2H3
InChIKeyGPXOHIMOMRKDMZ-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.98
Rot. Bonds1

About methyl 7-methyl-6-oxo-4,5-dihydrofuro[2,3-b]pyridine-2-carboxylate

methyl 7-methyl-6-oxo-4,5-dihydrofuro[2,3-b]pyridine-2-carboxylate (PubChem CID 45119794) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is methyl 7-methyl-6-oxo-4,5-dihydrofuro[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-methyl-6-oxo-4,5-dihydrofuro[2,3-b]pyridine-2-carboxylate
PubChem CID45119794
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Namemethyl 7-methyl-6-oxo-4,5-dihydrofuro[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(o1)N(C)C(=O)CC2
InChIInChI=1S/C10H11NO4/c1-11-8(12)4-3-6-5-7(10(13)14-2)15-9(6)11/h5H,3-4H2,1-2H3
InChIKeyGPXOHIMOMRKDMZ-UHFFFAOYSA-N
XLogP0.98
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 7-methyl-6-oxo-4,5-dihydrofuro[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 7-methyl-6-oxo-4,5-dihydrofuro[2,3-b]pyridine-2-carboxylate (CID 45119794) is methyl 7-methyl-6-oxo-4,5-dihydrofuro[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 7-methyl-6-oxo-4,5-dihydrofuro[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 7-methyl-6-oxo-4,5-dihydrofuro[2,3-b]pyridine-2-carboxylate is COC(=O)c1cc2c(o1)N(C)C(=O)CC2.
What is the InChIKey of methyl 7-methyl-6-oxo-4,5-dihydrofuro[2,3-b]pyridine-2-carboxylate?
The InChIKey is GPXOHIMOMRKDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-11-8(12)4-3-6-5-7(10(13)14-2)15-9(6)11/h5H,3-4H2,1-2H3.
What are the key properties of methyl 7-methyl-6-oxo-4,5-dihydrofuro[2,3-b]pyridine-2-carboxylate?
methyl 7-methyl-6-oxo-4,5-dihydrofuro[2,3-b]pyridine-2-carboxylate has a molecular weight of 209.20 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methyl-6-oxo-4,5-dihydrofuro[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 45119794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).