ethyl 3a-ethyl-7a-hydroxy-2-methyl-7-oxo-4H-furo[3,2-b]pyridine-3-carboxylate

C13H17NO5 — CID 11173171

IUPACethyl 3a-ethyl-7a-hydroxy-2-methyl-7-oxo-4H-furo[3,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)OC2(O)C(=O)C=CNC12CC
InChIInChI=1S/C13H17NO5/c1-4-12-10(11(16)18-5-2)8(3)19-13(12,17)9(15)6-7-14-12/h6-7,14,17H,4-5H2,1-3H3
InChIKeyKYZWICIHUYSJNO-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.38
Rot. Bonds3

About ethyl 3a-ethyl-7a-hydroxy-2-methyl-7-oxo-4H-furo[3,2-b]pyridine-3-carboxylate

ethyl 3a-ethyl-7a-hydroxy-2-methyl-7-oxo-4H-furo[3,2-b]pyridine-3-carboxylate (PubChem CID 11173171) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is ethyl 3a-ethyl-7a-hydroxy-2-methyl-7-oxo-4H-furo[3,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3a-ethyl-7a-hydroxy-2-methyl-7-oxo-4H-furo[3,2-b]pyridine-3-carboxylate
PubChem CID11173171
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Nameethyl 3a-ethyl-7a-hydroxy-2-methyl-7-oxo-4H-furo[3,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)OC2(O)C(=O)C=CNC12CC
InChIInChI=1S/C13H17NO5/c1-4-12-10(11(16)18-5-2)8(3)19-13(12,17)9(15)6-7-14-12/h6-7,14,17H,4-5H2,1-3H3
InChIKeyKYZWICIHUYSJNO-UHFFFAOYSA-N
XLogP0.38
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3a-ethyl-7a-hydroxy-2-methyl-7-oxo-4H-furo[3,2-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 3a-ethyl-7a-hydroxy-2-methyl-7-oxo-4H-furo[3,2-b]pyridine-3-carboxylate (CID 11173171) is ethyl 3a-ethyl-7a-hydroxy-2-methyl-7-oxo-4H-furo[3,2-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 3a-ethyl-7a-hydroxy-2-methyl-7-oxo-4H-furo[3,2-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 3a-ethyl-7a-hydroxy-2-methyl-7-oxo-4H-furo[3,2-b]pyridine-3-carboxylate is CCOC(=O)C1=C(C)OC2(O)C(=O)C=CNC12CC.
What is the InChIKey of ethyl 3a-ethyl-7a-hydroxy-2-methyl-7-oxo-4H-furo[3,2-b]pyridine-3-carboxylate?
The InChIKey is KYZWICIHUYSJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-4-12-10(11(16)18-5-2)8(3)19-13(12,17)9(15)6-7-14-12/h6-7,14,17H,4-5H2,1-3H3.
What are the key properties of ethyl 3a-ethyl-7a-hydroxy-2-methyl-7-oxo-4H-furo[3,2-b]pyridine-3-carboxylate?
ethyl 3a-ethyl-7a-hydroxy-2-methyl-7-oxo-4H-furo[3,2-b]pyridine-3-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3a-ethyl-7a-hydroxy-2-methyl-7-oxo-4H-furo[3,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 11173171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).