tert-butyl 7-oxo-4,6-dihydrofuro[3,4-c]pyridine-5-carboxylate

C12H15NO4 — CID 69346526

IUPACtert-butyl 7-oxo-4,6-dihydrofuro[3,4-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)c2cocc2C1
InChIInChI=1S/C12H15NO4/c1-12(2,3)17-11(15)13-4-8-6-16-7-9(8)10(14)5-13/h6-7H,4-5H2,1-3H3
InChIKeyOCEOUBXXWHEKSJ-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.21
Rot. Bonds

About tert-butyl 7-oxo-4,6-dihydrofuro[3,4-c]pyridine-5-carboxylate

tert-butyl 7-oxo-4,6-dihydrofuro[3,4-c]pyridine-5-carboxylate (PubChem CID 69346526) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is tert-butyl 7-oxo-4,6-dihydrofuro[3,4-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-oxo-4,6-dihydrofuro[3,4-c]pyridine-5-carboxylate
PubChem CID69346526
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Nametert-butyl 7-oxo-4,6-dihydrofuro[3,4-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)c2cocc2C1
InChIInChI=1S/C12H15NO4/c1-12(2,3)17-11(15)13-4-8-6-16-7-9(8)10(14)5-13/h6-7H,4-5H2,1-3H3
InChIKeyOCEOUBXXWHEKSJ-UHFFFAOYSA-N
XLogP2.21
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl 3-methylideneazetidine-1-carboxylate
CID 55269097
tert-butyl 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate
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ditert-butyl 4-oxo-1,3-dihydropyrido[3,4-b]indole-2,9-dicarboxylate
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tert-butyl 2-sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
CID 169217625
tert-butyl 3-oxo-4,5-dipropyl-2,6-dihydropyridine-1-carboxylate
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6-bromo-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-oxo-4,6-dihydrofuro[3,4-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 7-oxo-4,6-dihydrofuro[3,4-c]pyridine-5-carboxylate (CID 69346526) is tert-butyl 7-oxo-4,6-dihydrofuro[3,4-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 7-oxo-4,6-dihydrofuro[3,4-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 7-oxo-4,6-dihydrofuro[3,4-c]pyridine-5-carboxylate is CC(C)(C)OC(=O)N1CC(=O)c2cocc2C1.
What is the InChIKey of tert-butyl 7-oxo-4,6-dihydrofuro[3,4-c]pyridine-5-carboxylate?
The InChIKey is OCEOUBXXWHEKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-12(2,3)17-11(15)13-4-8-6-16-7-9(8)10(14)5-13/h6-7H,4-5H2,1-3H3.
What are the key properties of tert-butyl 7-oxo-4,6-dihydrofuro[3,4-c]pyridine-5-carboxylate?
tert-butyl 7-oxo-4,6-dihydrofuro[3,4-c]pyridine-5-carboxylate has a molecular weight of 237.25 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-oxo-4,6-dihydrofuro[3,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 69346526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).