ethyl 1-methyl-2,5-dioxo-3,10b-dihydrochromeno[4,3-b]pyridine-4-carboxylate

C16H15NO5 — CID 25190452

IUPACethyl 1-methyl-2,5-dioxo-3,10b-dihydrochromeno[4,3-b]pyridine-4-carboxylate
SMILESCCOC(=O)C1=C2C(=O)Oc3ccccc3C2N(C)C(=O)C1
InChIInChI=1S/C16H15NO5/c1-3-21-15(19)10-8-12(18)17(2)14-9-6-4-5-7-11(9)22-16(20)13(10)14/h4-7,14H,3,8H2,1-2H3
InChIKeyYQUCNCKNGPDWCY-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.37
Rot. Bonds2

About ethyl 1-methyl-2,5-dioxo-3,10b-dihydrochromeno[4,3-b]pyridine-4-carboxylate

ethyl 1-methyl-2,5-dioxo-3,10b-dihydrochromeno[4,3-b]pyridine-4-carboxylate (PubChem CID 25190452) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is ethyl 1-methyl-2,5-dioxo-3,10b-dihydrochromeno[4,3-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-2,5-dioxo-3,10b-dihydrochromeno[4,3-b]pyridine-4-carboxylate
PubChem CID25190452
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Nameethyl 1-methyl-2,5-dioxo-3,10b-dihydrochromeno[4,3-b]pyridine-4-carboxylate
SMILESCCOC(=O)C1=C2C(=O)Oc3ccccc3C2N(C)C(=O)C1
InChIInChI=1S/C16H15NO5/c1-3-21-15(19)10-8-12(18)17(2)14-9-6-4-5-7-11(9)22-16(20)13(10)14/h4-7,14H,3,8H2,1-2H3
InChIKeyYQUCNCKNGPDWCY-UHFFFAOYSA-N
XLogP1.37
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-2,5-dioxo-3,10b-dihydrochromeno[4,3-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 1-methyl-2,5-dioxo-3,10b-dihydrochromeno[4,3-b]pyridine-4-carboxylate (CID 25190452) is ethyl 1-methyl-2,5-dioxo-3,10b-dihydrochromeno[4,3-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-2,5-dioxo-3,10b-dihydrochromeno[4,3-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-2,5-dioxo-3,10b-dihydrochromeno[4,3-b]pyridine-4-carboxylate is CCOC(=O)C1=C2C(=O)Oc3ccccc3C2N(C)C(=O)C1.
What is the InChIKey of ethyl 1-methyl-2,5-dioxo-3,10b-dihydrochromeno[4,3-b]pyridine-4-carboxylate?
The InChIKey is YQUCNCKNGPDWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-3-21-15(19)10-8-12(18)17(2)14-9-6-4-5-7-11(9)22-16(20)13(10)14/h4-7,14H,3,8H2,1-2H3.
What are the key properties of ethyl 1-methyl-2,5-dioxo-3,10b-dihydrochromeno[4,3-b]pyridine-4-carboxylate?
ethyl 1-methyl-2,5-dioxo-3,10b-dihydrochromeno[4,3-b]pyridine-4-carboxylate has a molecular weight of 301.30 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-2,5-dioxo-3,10b-dihydrochromeno[4,3-b]pyridine-4-carboxylate is sourced from PubChem (CID 25190452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).