7-acetyl-2-methylchromeno[2,3-b]pyridin-5-one

C15H11NO3 — CID 12898481

IUPAC7-acetyl-2-methylchromeno[2,3-b]pyridin-5-one
SMILESCC(=O)c1ccc2oc3nc(C)ccc3c(=O)c2c1
InChIInChI=1S/C15H11NO3/c1-8-3-5-11-14(18)12-7-10(9(2)17)4-6-13(12)19-15(11)16-8/h3-7H,1-2H3
InChIKeyAANRSOUTXRZBGH-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.85
Rot. Bonds1

About 7-acetyl-2-methylchromeno[2,3-b]pyridin-5-one

7-acetyl-2-methylchromeno[2,3-b]pyridin-5-one (PubChem CID 12898481) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 7-acetyl-2-methylchromeno[2,3-b]pyridin-5-one.

Molecular Properties

Compound Name7-acetyl-2-methylchromeno[2,3-b]pyridin-5-one
PubChem CID12898481
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name7-acetyl-2-methylchromeno[2,3-b]pyridin-5-one
SMILESCC(=O)c1ccc2oc3nc(C)ccc3c(=O)c2c1
InChIInChI=1S/C15H11NO3/c1-8-3-5-11-14(18)12-7-10(9(2)17)4-6-13(12)19-15(11)16-8/h3-7H,1-2H3
InChIKeyAANRSOUTXRZBGH-UHFFFAOYSA-N
XLogP2.85
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-2-methylchromeno[2,3-b]pyridin-5-one?
The IUPAC name of 7-acetyl-2-methylchromeno[2,3-b]pyridin-5-one (CID 12898481) is 7-acetyl-2-methylchromeno[2,3-b]pyridin-5-one.
What is the SMILES notation for 7-acetyl-2-methylchromeno[2,3-b]pyridin-5-one?
The canonical SMILES for 7-acetyl-2-methylchromeno[2,3-b]pyridin-5-one is CC(=O)c1ccc2oc3nc(C)ccc3c(=O)c2c1.
What is the InChIKey of 7-acetyl-2-methylchromeno[2,3-b]pyridin-5-one?
The InChIKey is AANRSOUTXRZBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-8-3-5-11-14(18)12-7-10(9(2)17)4-6-13(12)19-15(11)16-8/h3-7H,1-2H3.
What are the key properties of 7-acetyl-2-methylchromeno[2,3-b]pyridin-5-one?
7-acetyl-2-methylchromeno[2,3-b]pyridin-5-one has a molecular weight of 253.26 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-2-methylchromeno[2,3-b]pyridin-5-one is sourced from PubChem (CID 12898481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).