4-hydroxy-3-propan-2-ylpyrano[3,2-b]pyridin-2-one

C11H11NO3 — CID 110272868

IUPAC4-hydroxy-3-propan-2-ylpyrano[3,2-b]pyridin-2-one
SMILESCC(C)c1c(O)c2ncccc2oc1=O
InChIInChI=1S/C11H11NO3/c1-6(2)8-10(13)9-7(15-11(8)14)4-3-5-12-9/h3-6,13H,1-2H3
InChIKeyGBWSGOCQTNYGNX-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.02
Rot. Bonds1

About 4-hydroxy-3-propan-2-ylpyrano[3,2-b]pyridin-2-one

4-hydroxy-3-propan-2-ylpyrano[3,2-b]pyridin-2-one (PubChem CID 110272868) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-hydroxy-3-propan-2-ylpyrano[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-propan-2-ylpyrano[3,2-b]pyridin-2-one
PubChem CID110272868
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name4-hydroxy-3-propan-2-ylpyrano[3,2-b]pyridin-2-one
SMILESCC(C)c1c(O)c2ncccc2oc1=O
InChIInChI=1S/C11H11NO3/c1-6(2)8-10(13)9-7(15-11(8)14)4-3-5-12-9/h3-6,13H,1-2H3
InChIKeyGBWSGOCQTNYGNX-UHFFFAOYSA-N
XLogP2.02
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-propan-2-ylpyrano[3,2-b]pyridin-2-one?
The IUPAC name of 4-hydroxy-3-propan-2-ylpyrano[3,2-b]pyridin-2-one (CID 110272868) is 4-hydroxy-3-propan-2-ylpyrano[3,2-b]pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-propan-2-ylpyrano[3,2-b]pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-propan-2-ylpyrano[3,2-b]pyridin-2-one is CC(C)c1c(O)c2ncccc2oc1=O.
What is the InChIKey of 4-hydroxy-3-propan-2-ylpyrano[3,2-b]pyridin-2-one?
The InChIKey is GBWSGOCQTNYGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-6(2)8-10(13)9-7(15-11(8)14)4-3-5-12-9/h3-6,13H,1-2H3.
What are the key properties of 4-hydroxy-3-propan-2-ylpyrano[3,2-b]pyridin-2-one?
4-hydroxy-3-propan-2-ylpyrano[3,2-b]pyridin-2-one has a molecular weight of 205.21 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-propan-2-ylpyrano[3,2-b]pyridin-2-one is sourced from PubChem (CID 110272868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).