ethyl 2-oxo-3-(5-oxoindeno[1,2-b]pyridin-4-yl)propanoate

C17H13NO4 — CID 14856349

IUPACethyl 2-oxo-3-(5-oxoindeno[1,2-b]pyridin-4-yl)propanoate
SMILESCCOC(=O)C(=O)Cc1ccnc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C17H13NO4/c1-2-22-17(21)13(19)9-10-7-8-18-15-11-5-3-4-6-12(11)16(20)14(10)15/h3-8H,2,9H2,1H3
InChIKeySZKHAHZCRAQYFI-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.97
Rot. Bonds4

About ethyl 2-oxo-3-(5-oxoindeno[1,2-b]pyridin-4-yl)propanoate

ethyl 2-oxo-3-(5-oxoindeno[1,2-b]pyridin-4-yl)propanoate (PubChem CID 14856349) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is ethyl 2-oxo-3-(5-oxoindeno[1,2-b]pyridin-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-oxo-3-(5-oxoindeno[1,2-b]pyridin-4-yl)propanoate
PubChem CID14856349
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Nameethyl 2-oxo-3-(5-oxoindeno[1,2-b]pyridin-4-yl)propanoate
SMILESCCOC(=O)C(=O)Cc1ccnc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C17H13NO4/c1-2-22-17(21)13(19)9-10-7-8-18-15-11-5-3-4-6-12(11)16(20)14(10)15/h3-8H,2,9H2,1H3
InChIKeySZKHAHZCRAQYFI-UHFFFAOYSA-N
XLogP1.97
TPSA73.33 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 ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-3-(5-oxoindeno[1,2-b]pyridin-4-yl)propanoate?
The IUPAC name of ethyl 2-oxo-3-(5-oxoindeno[1,2-b]pyridin-4-yl)propanoate (CID 14856349) is ethyl 2-oxo-3-(5-oxoindeno[1,2-b]pyridin-4-yl)propanoate.
What is the SMILES notation for ethyl 2-oxo-3-(5-oxoindeno[1,2-b]pyridin-4-yl)propanoate?
The canonical SMILES for ethyl 2-oxo-3-(5-oxoindeno[1,2-b]pyridin-4-yl)propanoate is CCOC(=O)C(=O)Cc1ccnc2c1C(=O)c1ccccc1-2.
What is the InChIKey of ethyl 2-oxo-3-(5-oxoindeno[1,2-b]pyridin-4-yl)propanoate?
The InChIKey is SZKHAHZCRAQYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-2-22-17(21)13(19)9-10-7-8-18-15-11-5-3-4-6-12(11)16(20)14(10)15/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 2-oxo-3-(5-oxoindeno[1,2-b]pyridin-4-yl)propanoate?
ethyl 2-oxo-3-(5-oxoindeno[1,2-b]pyridin-4-yl)propanoate has a molecular weight of 295.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-3-(5-oxoindeno[1,2-b]pyridin-4-yl)propanoate is sourced from PubChem (CID 14856349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).