[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

C15H15NO5 — CID 2570844

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
SMILESO=C(OCC(=O)N1CCc2ccccc21)C1=COCCO1
InChIInChI=1S/C15H15NO5/c17-14(10-21-15(18)13-9-19-7-8-20-13)16-6-5-11-3-1-2-4-12(11)16/h1-4,9H,5-8,10H2
InChIKeyDEHVEZCHXBTBHH-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.01
Rot. Bonds3

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate (PubChem CID 2570844) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
PubChem CID2570844
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
SMILESO=C(OCC(=O)N1CCc2ccccc21)C1=COCCO1
InChIInChI=1S/C15H15NO5/c17-14(10-21-15(18)13-9-19-7-8-20-13)16-6-5-11-3-1-2-4-12(11)16/h1-4,9H,5-8,10H2
InChIKeyDEHVEZCHXBTBHH-UHFFFAOYSA-N
XLogP1.01
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate (CID 2570844) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate is O=C(OCC(=O)N1CCc2ccccc21)C1=COCCO1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The InChIKey is DEHVEZCHXBTBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c17-14(10-21-15(18)13-9-19-7-8-20-13)16-6-5-11-3-1-2-4-12(11)16/h1-4,9H,5-8,10H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate has a molecular weight of 289.29 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate is sourced from PubChem (CID 2570844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).