3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione

C12H9FN2O2 — CID 23063810

IUPAC3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2c[nH]c3ccc(F)cc23)C(=O)N1
InChIInChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)
InChIKeyMXKLDYKORJEOPR-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.44
Rot. Bonds1

About 3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione

3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (PubChem CID 23063810) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
PubChem CID23063810
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2c[nH]c3ccc(F)cc23)C(=O)N1
InChIInChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)
InChIKeyMXKLDYKORJEOPR-UHFFFAOYSA-N
XLogP1.44
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (CID 23063810) is 3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione is O=C1CC(c2c[nH]c3ccc(F)cc23)C(=O)N1.
What is the InChIKey of 3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione?
The InChIKey is MXKLDYKORJEOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17).
What are the key properties of 3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione?
3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione has a molecular weight of 232.21 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 23063810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).