7-(2-oxopropoxy)-4-phenylpyrano[2,3-b]pyridin-2-one

C17H13NO4 — CID 122537726

IUPAC7-(2-oxopropoxy)-4-phenylpyrano[2,3-b]pyridin-2-one
SMILESCC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2n1
InChIInChI=1S/C17H13NO4/c1-11(19)10-21-15-8-7-13-14(12-5-3-2-4-6-12)9-16(20)22-17(13)18-15/h2-9H,10H2,1H3
InChIKeyXWSNMCJKQIJABG-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.82
Rot. Bonds4

About 7-(2-oxopropoxy)-4-phenylpyrano[2,3-b]pyridin-2-one

7-(2-oxopropoxy)-4-phenylpyrano[2,3-b]pyridin-2-one (PubChem CID 122537726) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 7-(2-oxopropoxy)-4-phenylpyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name7-(2-oxopropoxy)-4-phenylpyrano[2,3-b]pyridin-2-one
PubChem CID122537726
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name7-(2-oxopropoxy)-4-phenylpyrano[2,3-b]pyridin-2-one
SMILESCC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2n1
InChIInChI=1S/C17H13NO4/c1-11(19)10-21-15-8-7-13-14(12-5-3-2-4-6-12)9-16(20)22-17(13)18-15/h2-9H,10H2,1H3
InChIKeyXWSNMCJKQIJABG-UHFFFAOYSA-N
XLogP2.82
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-oxopropoxy)-4-phenylpyrano[2,3-b]pyridin-2-one?
The IUPAC name of 7-(2-oxopropoxy)-4-phenylpyrano[2,3-b]pyridin-2-one (CID 122537726) is 7-(2-oxopropoxy)-4-phenylpyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 7-(2-oxopropoxy)-4-phenylpyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 7-(2-oxopropoxy)-4-phenylpyrano[2,3-b]pyridin-2-one is CC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2n1.
What is the InChIKey of 7-(2-oxopropoxy)-4-phenylpyrano[2,3-b]pyridin-2-one?
The InChIKey is XWSNMCJKQIJABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-11(19)10-21-15-8-7-13-14(12-5-3-2-4-6-12)9-16(20)22-17(13)18-15/h2-9H,10H2,1H3.
What are the key properties of 7-(2-oxopropoxy)-4-phenylpyrano[2,3-b]pyridin-2-one?
7-(2-oxopropoxy)-4-phenylpyrano[2,3-b]pyridin-2-one has a molecular weight of 295.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-oxopropoxy)-4-phenylpyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 122537726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).