6-fluoro-1-[2-(propylamino)ethyl]indole-2,3-dione

C13H15FN2O2 — CID 61387539

IUPAC6-fluoro-1-[2-(propylamino)ethyl]indole-2,3-dione
SMILESCCCNCCN1C(=O)C(=O)c2ccc(F)cc21
InChIInChI=1S/C13H15FN2O2/c1-2-5-15-6-7-16-11-8-9(14)3-4-10(11)12(17)13(16)18/h3-4,8,15H,2,5-7H2,1H3
InChIKeyYOFIUWWFJXXUCG-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.35
Rot. Bonds5

About 6-fluoro-1-[2-(propylamino)ethyl]indole-2,3-dione

6-fluoro-1-[2-(propylamino)ethyl]indole-2,3-dione (PubChem CID 61387539) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 6-fluoro-1-[2-(propylamino)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name6-fluoro-1-[2-(propylamino)ethyl]indole-2,3-dione
PubChem CID61387539
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name6-fluoro-1-[2-(propylamino)ethyl]indole-2,3-dione
SMILESCCCNCCN1C(=O)C(=O)c2ccc(F)cc21
InChIInChI=1S/C13H15FN2O2/c1-2-5-15-6-7-16-11-8-9(14)3-4-10(11)12(17)13(16)18/h3-4,8,15H,2,5-7H2,1H3
InChIKeyYOFIUWWFJXXUCG-UHFFFAOYSA-N
XLogP1.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[2-(propylamino)ethyl]indole-2,3-dione?
The IUPAC name of 6-fluoro-1-[2-(propylamino)ethyl]indole-2,3-dione (CID 61387539) is 6-fluoro-1-[2-(propylamino)ethyl]indole-2,3-dione.
What is the SMILES notation for 6-fluoro-1-[2-(propylamino)ethyl]indole-2,3-dione?
The canonical SMILES for 6-fluoro-1-[2-(propylamino)ethyl]indole-2,3-dione is CCCNCCN1C(=O)C(=O)c2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1-[2-(propylamino)ethyl]indole-2,3-dione?
The InChIKey is YOFIUWWFJXXUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-2-5-15-6-7-16-11-8-9(14)3-4-10(11)12(17)13(16)18/h3-4,8,15H,2,5-7H2,1H3.
What are the key properties of 6-fluoro-1-[2-(propylamino)ethyl]indole-2,3-dione?
6-fluoro-1-[2-(propylamino)ethyl]indole-2,3-dione has a molecular weight of 250.27 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[2-(propylamino)ethyl]indole-2,3-dione is sourced from PubChem (CID 61387539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).