3-ethyl-7H-furo[3,4-b]pyridin-5-one

C9H9NO2 — CID 115012810

IUPAC3-ethyl-7H-furo[3,4-b]pyridin-5-one
SMILESCCc1cnc2c(c1)C(=O)OC2
InChIInChI=1S/C9H9NO2/c1-2-6-3-7-8(10-4-6)5-12-9(7)11/h3-4H,2,5H2,1H3
InChIKeyWSJNLKBTFGBSGL-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.31
Rot. Bonds1

About 3-ethyl-7H-furo[3,4-b]pyridin-5-one

3-ethyl-7H-furo[3,4-b]pyridin-5-one (PubChem CID 115012810) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-ethyl-7H-furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name3-ethyl-7H-furo[3,4-b]pyridin-5-one
PubChem CID115012810
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name3-ethyl-7H-furo[3,4-b]pyridin-5-one
SMILESCCc1cnc2c(c1)C(=O)OC2
InChIInChI=1S/C9H9NO2/c1-2-6-3-7-8(10-4-6)5-12-9(7)11/h3-4H,2,5H2,1H3
InChIKeyWSJNLKBTFGBSGL-UHFFFAOYSA-N
XLogP1.31
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7H-furo[3,4-b]pyridin-5-one?
The IUPAC name of 3-ethyl-7H-furo[3,4-b]pyridin-5-one (CID 115012810) is 3-ethyl-7H-furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 3-ethyl-7H-furo[3,4-b]pyridin-5-one?
The canonical SMILES for 3-ethyl-7H-furo[3,4-b]pyridin-5-one is CCc1cnc2c(c1)C(=O)OC2.
What is the InChIKey of 3-ethyl-7H-furo[3,4-b]pyridin-5-one?
The InChIKey is WSJNLKBTFGBSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-2-6-3-7-8(10-4-6)5-12-9(7)11/h3-4H,2,5H2,1H3.
What are the key properties of 3-ethyl-7H-furo[3,4-b]pyridin-5-one?
3-ethyl-7H-furo[3,4-b]pyridin-5-one has a molecular weight of 163.18 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7H-furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 115012810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).