2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one

C8H9NO2 — CID 176697577

IUPAC2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one
SMILESO=c1[nH]ccc2c1CCCO2
InChIInChI=1S/C8H9NO2/c10-8-6-2-1-5-11-7(6)3-4-9-8/h3-4H,1-2,5H2,(H,9,10)
InChIKeyGMRHYCYKBIDPSD-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.70
Rot. Bonds

About 2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one

2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one (PubChem CID 176697577) has the molecular formula C8H9NO2 and a molecular weight of 151.17 g/mol. Its IUPAC name is 2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one.

Molecular Properties

Compound Name2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one
PubChem CID176697577
Molecular FormulaC8H9NO2
Molecular Weight151.17 g/mol
Exact Mass151.06
IUPAC Name2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one
SMILESO=c1[nH]ccc2c1CCCO2
InChIInChI=1S/C8H9NO2/c10-8-6-2-1-5-11-7(6)3-4-9-8/h3-4H,1-2,5H2,(H,9,10)
InChIKeyGMRHYCYKBIDPSD-UHFFFAOYSA-N
XLogP0.70
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one?
The IUPAC name of 2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one (CID 176697577) is 2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one.
What is the SMILES notation for 2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one?
The canonical SMILES for 2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one is O=c1[nH]ccc2c1CCCO2.
What is the InChIKey of 2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one?
The InChIKey is GMRHYCYKBIDPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-8-6-2-1-5-11-7(6)3-4-9-8/h3-4H,1-2,5H2,(H,9,10).
What are the key properties of 2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one?
2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one has a molecular weight of 151.17 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one is sourced from PubChem (CID 176697577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).