[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

C16H14N2O4 — CID 2439157

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1ccc[nH]c1=O
InChIInChI=1S/C16H14N2O4/c19-14(18-9-7-11-4-1-2-6-13(11)18)10-22-16(21)12-5-3-8-17-15(12)20/h1-6,8H,7,9-10H2,(H,17,20)
InChIKeyAJFWXMBFVUYOED-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.12
Rot. Bonds3

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 2439157) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID2439157
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1ccc[nH]c1=O
InChIInChI=1S/C16H14N2O4/c19-14(18-9-7-11-4-1-2-6-13(11)18)10-22-16(21)12-5-3-8-17-15(12)20/h1-6,8H,7,9-10H2,(H,17,20)
InChIKeyAJFWXMBFVUYOED-UHFFFAOYSA-N
XLogP1.12
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 2439157) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is O=C(OCC(=O)N1CCc2ccccc21)c1ccc[nH]c1=O.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is AJFWXMBFVUYOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c19-14(18-9-7-11-4-1-2-6-13(11)18)10-22-16(21)12-5-3-8-17-15(12)20/h1-6,8H,7,9-10H2,(H,17,20).
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 298.30 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 2439157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).