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

C15H11NO3 — CID 617281

IUPAC3-acetyl-2-methylchromeno[2,3-b]pyridin-5-one
SMILESCC(=O)c1cc2c(=O)c3ccccc3oc2nc1C
InChIInChI=1S/C15H11NO3/c1-8-11(9(2)17)7-12-14(18)10-5-3-4-6-13(10)19-15(12)16-8/h3-7H,1-2H3
InChIKeyBSWKWHNLWRLQLZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.85
Rot. Bonds1

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

3-acetyl-2-methylchromeno[2,3-b]pyridin-5-one (PubChem CID 617281) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-acetyl-2-methylchromeno[2,3-b]pyridin-5-one.

Molecular Properties

Compound Name3-acetyl-2-methylchromeno[2,3-b]pyridin-5-one
PubChem CID617281
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name3-acetyl-2-methylchromeno[2,3-b]pyridin-5-one
SMILESCC(=O)c1cc2c(=O)c3ccccc3oc2nc1C
InChIInChI=1S/C15H11NO3/c1-8-11(9(2)17)7-12-14(18)10-5-3-4-6-13(10)19-15(12)16-8/h3-7H,1-2H3
InChIKeyBSWKWHNLWRLQLZ-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'}

Analyze 3-acetyl-2-methylchromeno[2,3-b]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-methylchromeno[2,3-b]pyridin-5-one?
The IUPAC name of 3-acetyl-2-methylchromeno[2,3-b]pyridin-5-one (CID 617281) is 3-acetyl-2-methylchromeno[2,3-b]pyridin-5-one.
What is the SMILES notation for 3-acetyl-2-methylchromeno[2,3-b]pyridin-5-one?
The canonical SMILES for 3-acetyl-2-methylchromeno[2,3-b]pyridin-5-one is CC(=O)c1cc2c(=O)c3ccccc3oc2nc1C.
What is the InChIKey of 3-acetyl-2-methylchromeno[2,3-b]pyridin-5-one?
The InChIKey is BSWKWHNLWRLQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-8-11(9(2)17)7-12-14(18)10-5-3-4-6-13(10)19-15(12)16-8/h3-7H,1-2H3.
What are the key properties of 3-acetyl-2-methylchromeno[2,3-b]pyridin-5-one?
3-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 3-acetyl-2-methylchromeno[2,3-b]pyridin-5-one is sourced from PubChem (CID 617281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).