1-O-ethyl 2-O-[3-(1H-indol-3-yl)-2-oxopropyl] oxalate

C15H15NO5 — CID 10732157

IUPAC1-O-ethyl 2-O-[3-(1H-indol-3-yl)-2-oxopropyl] oxalate
SMILESCCOC(=O)C(=O)OCC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H15NO5/c1-2-20-14(18)15(19)21-9-11(17)7-10-8-16-13-6-4-3-5-12(10)13/h3-6,8,16H,2,7,9H2,1H3
InChIKeyANYRINRFOJGCMA-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.39
Rot. Bonds5

About 1-O-ethyl 2-O-[3-(1H-indol-3-yl)-2-oxopropyl] oxalate

1-O-ethyl 2-O-[3-(1H-indol-3-yl)-2-oxopropyl] oxalate (PubChem CID 10732157) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-O-ethyl 2-O-[3-(1H-indol-3-yl)-2-oxopropyl] oxalate.

Molecular Properties

Compound Name1-O-ethyl 2-O-[3-(1H-indol-3-yl)-2-oxopropyl] oxalate
PubChem CID10732157
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name1-O-ethyl 2-O-[3-(1H-indol-3-yl)-2-oxopropyl] oxalate
SMILESCCOC(=O)C(=O)OCC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H15NO5/c1-2-20-14(18)15(19)21-9-11(17)7-10-8-16-13-6-4-3-5-12(10)13/h3-6,8,16H,2,7,9H2,1H3
InChIKeyANYRINRFOJGCMA-UHFFFAOYSA-N
XLogP1.39
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
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[2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
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Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 2-O-[3-(1H-indol-3-yl)-2-oxopropyl] oxalate?
The IUPAC name of 1-O-ethyl 2-O-[3-(1H-indol-3-yl)-2-oxopropyl] oxalate (CID 10732157) is 1-O-ethyl 2-O-[3-(1H-indol-3-yl)-2-oxopropyl] oxalate.
What is the SMILES notation for 1-O-ethyl 2-O-[3-(1H-indol-3-yl)-2-oxopropyl] oxalate?
The canonical SMILES for 1-O-ethyl 2-O-[3-(1H-indol-3-yl)-2-oxopropyl] oxalate is CCOC(=O)C(=O)OCC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-O-ethyl 2-O-[3-(1H-indol-3-yl)-2-oxopropyl] oxalate?
The InChIKey is ANYRINRFOJGCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-2-20-14(18)15(19)21-9-11(17)7-10-8-16-13-6-4-3-5-12(10)13/h3-6,8,16H,2,7,9H2,1H3.
What are the key properties of 1-O-ethyl 2-O-[3-(1H-indol-3-yl)-2-oxopropyl] oxalate?
1-O-ethyl 2-O-[3-(1H-indol-3-yl)-2-oxopropyl] oxalate has a molecular weight of 289.29 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 2-O-[3-(1H-indol-3-yl)-2-oxopropyl] oxalate is sourced from PubChem (CID 10732157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).