1,3,4,6-tetrahydropyrano[4,3-c]pyridin-5-one

C8H9NO2 — CID 176697561

IUPAC1,3,4,6-tetrahydropyrano[4,3-c]pyridin-5-one
SMILESO=c1[nH]ccc2c1CCOC2
InChIInChI=1S/C8H9NO2/c10-8-7-2-4-11-5-6(7)1-3-9-8/h1,3H,2,4-5H2,(H,9,10)
InChIKeyWAWYQEOTEWGGTD-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.45
Rot. Bonds

About 1,3,4,6-tetrahydropyrano[4,3-c]pyridin-5-one

1,3,4,6-tetrahydropyrano[4,3-c]pyridin-5-one (PubChem CID 176697561) has the molecular formula C8H9NO2 and a molecular weight of 151.17 g/mol. Its IUPAC name is 1,3,4,6-tetrahydropyrano[4,3-c]pyridin-5-one.

Molecular Properties

Compound Name1,3,4,6-tetrahydropyrano[4,3-c]pyridin-5-one
PubChem CID176697561
Molecular FormulaC8H9NO2
Molecular Weight151.17 g/mol
Exact Mass151.06
IUPAC Name1,3,4,6-tetrahydropyrano[4,3-c]pyridin-5-one
SMILESO=c1[nH]ccc2c1CCOC2
InChIInChI=1S/C8H9NO2/c10-8-7-2-4-11-5-6(7)1-3-9-8/h1,3H,2,4-5H2,(H,9,10)
InChIKeyWAWYQEOTEWGGTD-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,6-tetrahydropyrano[4,3-c]pyridin-5-one?
The IUPAC name of 1,3,4,6-tetrahydropyrano[4,3-c]pyridin-5-one (CID 176697561) is 1,3,4,6-tetrahydropyrano[4,3-c]pyridin-5-one.
What is the SMILES notation for 1,3,4,6-tetrahydropyrano[4,3-c]pyridin-5-one?
The canonical SMILES for 1,3,4,6-tetrahydropyrano[4,3-c]pyridin-5-one is O=c1[nH]ccc2c1CCOC2.
What is the InChIKey of 1,3,4,6-tetrahydropyrano[4,3-c]pyridin-5-one?
The InChIKey is WAWYQEOTEWGGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-8-7-2-4-11-5-6(7)1-3-9-8/h1,3H,2,4-5H2,(H,9,10).
What are the key properties of 1,3,4,6-tetrahydropyrano[4,3-c]pyridin-5-one?
1,3,4,6-tetrahydropyrano[4,3-c]pyridin-5-one has a molecular weight of 151.17 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6-tetrahydropyrano[4,3-c]pyridin-5-one is sourced from PubChem (CID 176697561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).