5,6,7,7a-tetrahydro-4H-furo[3,2-b]pyridin-2-one

C7H9NO2 — CID 55286079

IUPAC5,6,7,7a-tetrahydro-4H-furo[3,2-b]pyridin-2-one
SMILESO=C1C=C2NCCCC2O1
InChIInChI=1S/C7H9NO2/c9-7-4-5-6(10-7)2-1-3-8-5/h4,6,8H,1-3H2
InChIKeyVZLGWVTXIMMSDD-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.18
Rot. Bonds

About 5,6,7,7a-tetrahydro-4H-furo[3,2-b]pyridin-2-one

5,6,7,7a-tetrahydro-4H-furo[3,2-b]pyridin-2-one (PubChem CID 55286079) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 5,6,7,7a-tetrahydro-4H-furo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name5,6,7,7a-tetrahydro-4H-furo[3,2-b]pyridin-2-one
PubChem CID55286079
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name5,6,7,7a-tetrahydro-4H-furo[3,2-b]pyridin-2-one
SMILESO=C1C=C2NCCCC2O1
InChIInChI=1S/C7H9NO2/c9-7-4-5-6(10-7)2-1-3-8-5/h4,6,8H,1-3H2
InChIKeyVZLGWVTXIMMSDD-UHFFFAOYSA-N
XLogP0.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,7a-tetrahydro-4H-furo[3,2-b]pyridin-2-one?
The IUPAC name of 5,6,7,7a-tetrahydro-4H-furo[3,2-b]pyridin-2-one (CID 55286079) is 5,6,7,7a-tetrahydro-4H-furo[3,2-b]pyridin-2-one.
What is the SMILES notation for 5,6,7,7a-tetrahydro-4H-furo[3,2-b]pyridin-2-one?
The canonical SMILES for 5,6,7,7a-tetrahydro-4H-furo[3,2-b]pyridin-2-one is O=C1C=C2NCCCC2O1.
What is the InChIKey of 5,6,7,7a-tetrahydro-4H-furo[3,2-b]pyridin-2-one?
The InChIKey is VZLGWVTXIMMSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c9-7-4-5-6(10-7)2-1-3-8-5/h4,6,8H,1-3H2.
What are the key properties of 5,6,7,7a-tetrahydro-4H-furo[3,2-b]pyridin-2-one?
5,6,7,7a-tetrahydro-4H-furo[3,2-b]pyridin-2-one has a molecular weight of 139.15 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,7a-tetrahydro-4H-furo[3,2-b]pyridin-2-one is sourced from PubChem (CID 55286079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).