methyl 4-oxo-6,7-dihydro-5H-furo[2,3-c]pyridine-7-carboxylate

C9H9NO4 — CID 69345761

IUPACmethyl 4-oxo-6,7-dihydro-5H-furo[2,3-c]pyridine-7-carboxylate
SMILESCOC(=O)C1NCC(=O)c2ccoc21
InChIInChI=1S/C9H9NO4/c1-13-9(12)7-8-5(2-3-14-8)6(11)4-10-7/h2-3,7,10H,4H2,1H3
InChIKeyKFZUTPBYEOLWLA-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.28
Rot. Bonds1

About methyl 4-oxo-6,7-dihydro-5H-furo[2,3-c]pyridine-7-carboxylate

methyl 4-oxo-6,7-dihydro-5H-furo[2,3-c]pyridine-7-carboxylate (PubChem CID 69345761) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is methyl 4-oxo-6,7-dihydro-5H-furo[2,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-6,7-dihydro-5H-furo[2,3-c]pyridine-7-carboxylate
PubChem CID69345761
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Namemethyl 4-oxo-6,7-dihydro-5H-furo[2,3-c]pyridine-7-carboxylate
SMILESCOC(=O)C1NCC(=O)c2ccoc21
InChIInChI=1S/C9H9NO4/c1-13-9(12)7-8-5(2-3-14-8)6(11)4-10-7/h2-3,7,10H,4H2,1H3
InChIKeyKFZUTPBYEOLWLA-UHFFFAOYSA-N
XLogP0.28
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-6,7-dihydro-5H-furo[2,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 4-oxo-6,7-dihydro-5H-furo[2,3-c]pyridine-7-carboxylate (CID 69345761) is methyl 4-oxo-6,7-dihydro-5H-furo[2,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 4-oxo-6,7-dihydro-5H-furo[2,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 4-oxo-6,7-dihydro-5H-furo[2,3-c]pyridine-7-carboxylate is COC(=O)C1NCC(=O)c2ccoc21.
What is the InChIKey of methyl 4-oxo-6,7-dihydro-5H-furo[2,3-c]pyridine-7-carboxylate?
The InChIKey is KFZUTPBYEOLWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c1-13-9(12)7-8-5(2-3-14-8)6(11)4-10-7/h2-3,7,10H,4H2,1H3.
What are the key properties of methyl 4-oxo-6,7-dihydro-5H-furo[2,3-c]pyridine-7-carboxylate?
methyl 4-oxo-6,7-dihydro-5H-furo[2,3-c]pyridine-7-carboxylate has a molecular weight of 195.17 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-6,7-dihydro-5H-furo[2,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 69345761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).