1-(2-propoxyethyl)indole-2,3-dione

C13H15NO3 — CID 106453634

IUPAC1-(2-propoxyethyl)indole-2,3-dione
SMILESCCCOCCN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C13H15NO3/c1-2-8-17-9-7-14-11-6-4-3-5-10(11)12(15)13(14)16/h3-6H,2,7-9H2,1H3
InChIKeyKSZLZYKGOHJAIY-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.64
Rot. Bonds5

About 1-(2-propoxyethyl)indole-2,3-dione

1-(2-propoxyethyl)indole-2,3-dione (PubChem CID 106453634) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(2-propoxyethyl)indole-2,3-dione.

Molecular Properties

Compound Name1-(2-propoxyethyl)indole-2,3-dione
PubChem CID106453634
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-(2-propoxyethyl)indole-2,3-dione
SMILESCCCOCCN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C13H15NO3/c1-2-8-17-9-7-14-11-6-4-3-5-10(11)12(15)13(14)16/h3-6H,2,7-9H2,1H3
InChIKeyKSZLZYKGOHJAIY-UHFFFAOYSA-N
XLogP1.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-tert-butylphenoxy)ethyl]indole-2,3-dione
CID 3157902
3-ethyl-1-(2-propoxyethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 106459188
1-[[3,5-bis[(2,3-dioxoindol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]indole-2,3-dione
CID 139203556
1-[2-(2,3-dichlorophenoxy)ethyl]indole-2,3-dione
CID 18802238
5-bromo-6-fluoro-1-(2-propoxyethyl)indole-2,3-dione
CID 106453668
1-[2-(2,3-dimethylphenoxy)ethyl]indole-2,3-dione
CID 18802236
1-(3-ethylsulfanylpropyl)indole-2,3-dione
CID 115659187
1-[3-(ethylamino)propyl]indole-2,3-dione
CID 61387334
2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 155179726
2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 12692562
1-butyl-3-methylidenequinoline-2,4-dione
CID 59034241
1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione
CID 43457248

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyethyl)indole-2,3-dione?
The IUPAC name of 1-(2-propoxyethyl)indole-2,3-dione (CID 106453634) is 1-(2-propoxyethyl)indole-2,3-dione.
What is the SMILES notation for 1-(2-propoxyethyl)indole-2,3-dione?
The canonical SMILES for 1-(2-propoxyethyl)indole-2,3-dione is CCCOCCN1C(=O)C(=O)c2ccccc21.
What is the InChIKey of 1-(2-propoxyethyl)indole-2,3-dione?
The InChIKey is KSZLZYKGOHJAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-8-17-9-7-14-11-6-4-3-5-10(11)12(15)13(14)16/h3-6H,2,7-9H2,1H3.
What are the key properties of 1-(2-propoxyethyl)indole-2,3-dione?
1-(2-propoxyethyl)indole-2,3-dione has a molecular weight of 233.27 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyethyl)indole-2,3-dione is sourced from PubChem (CID 106453634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).