1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one

C8H9NO2 — CID 121207128

IUPAC1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one
SMILESO=c1cc2c(c[nH]1)COCC2
InChIInChI=1S/C8H9NO2/c10-8-3-6-1-2-11-5-7(6)4-9-8/h3-4H,1-2,5H2,(H,9,10)
InChIKeyCQMWJAIUEUMBQI-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.45
Rot. Bonds

About 1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one

1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one (PubChem CID 121207128) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one.

Molecular Properties

Compound Name1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one
PubChem CID121207128
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one
SMILESO=c1cc2c(c[nH]1)COCC2
InChIInChI=1S/C8H9NO2/c10-8-3-6-1-2-11-5-7(6)4-9-8/h3-4H,1-2,5H2,(H,9,10)
InChIKeyCQMWJAIUEUMBQI-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 ≤ 500151.16
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one?
The IUPAC name of 1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one (CID 121207128) is 1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one.
What is the SMILES notation for 1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one?
The canonical SMILES for 1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one is O=c1cc2c(c[nH]1)COCC2.
What is the InChIKey of 1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one?
The InChIKey is CQMWJAIUEUMBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-8-3-6-1-2-11-5-7(6)4-9-8/h3-4H,1-2,5H2,(H,9,10).
What are the key properties of 1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one?
1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one has a molecular weight of 151.16 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 1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one is sourced from PubChem (CID 121207128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).