3-(5,6-difluoro-1H-indol-3-yl)pyrrolidine-2,5-dione

C12H8F2N2O2 — CID 86240717

IUPAC3-(5,6-difluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2c[nH]c3cc(F)c(F)cc23)C(=O)N1
InChIInChI=1S/C12H8F2N2O2/c13-8-1-5-7(4-15-10(5)3-9(8)14)6-2-11(17)16-12(6)18/h1,3-4,6,15H,2H2,(H,16,17,18)
InChIKeyASSGNCUADIFTFP-UHFFFAOYSA-N
MW250.20 g/mol
LogP1.58
Rot. Bonds1

About 3-(5,6-difluoro-1H-indol-3-yl)pyrrolidine-2,5-dione

3-(5,6-difluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (PubChem CID 86240717) has the molecular formula C12H8F2N2O2 and a molecular weight of 250.20 g/mol. Its IUPAC name is 3-(5,6-difluoro-1H-indol-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(5,6-difluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
PubChem CID86240717
Molecular FormulaC12H8F2N2O2
Molecular Weight250.20 g/mol
Exact Mass250.06
IUPAC Name3-(5,6-difluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2c[nH]c3cc(F)c(F)cc23)C(=O)N1
InChIInChI=1S/C12H8F2N2O2/c13-8-1-5-7(4-15-10(5)3-9(8)14)6-2-11(17)16-12(6)18/h1,3-4,6,15H,2H2,(H,16,17,18)
InChIKeyASSGNCUADIFTFP-UHFFFAOYSA-N
XLogP1.58
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(6-bromo-5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 118511986
(3S)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 124677171
(3R)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 124677172
3-[5-(hydroxymethyl)-1H-indol-3-yl]pyrrolidine-2,5-dione
CID 118520343
3-(2,5-dioxopyrrolidin-3-yl)-1H-indole-6-carbonitrile
CID 118512091
3-(6-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 86240712
3-(5-isocyano-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 123229041
3-(7-fluoronaphthalen-1-yl)pyrrolidine-2,5-dione
CID 118512063
3-(5-fluoro-2-methoxyphenyl)pyrrolidine-2,5-dione
CID 82114724
3-(7-chloronaphthalen-1-yl)pyrrolidine-2,5-dione
CID 118511993
2-(5-fluoro-1H-indol-3-yl)cyclobutan-1-one
CID 162402410
3-methyl-4-(2,4,5-trifluorophenyl)piperidine-2,6-dione
CID 114058156

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-difluoro-1H-indol-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(5,6-difluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (CID 86240717) is 3-(5,6-difluoro-1H-indol-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(5,6-difluoro-1H-indol-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(5,6-difluoro-1H-indol-3-yl)pyrrolidine-2,5-dione is O=C1CC(c2c[nH]c3cc(F)c(F)cc23)C(=O)N1.
What is the InChIKey of 3-(5,6-difluoro-1H-indol-3-yl)pyrrolidine-2,5-dione?
The InChIKey is ASSGNCUADIFTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O2/c13-8-1-5-7(4-15-10(5)3-9(8)14)6-2-11(17)16-12(6)18/h1,3-4,6,15H,2H2,(H,16,17,18).
What are the key properties of 3-(5,6-difluoro-1H-indol-3-yl)pyrrolidine-2,5-dione?
3-(5,6-difluoro-1H-indol-3-yl)pyrrolidine-2,5-dione has a molecular weight of 250.20 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-difluoro-1H-indol-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 86240717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).