1-(6-fluoro-1-methylindol-2-yl)pyrrolidine-2,5-dione

C13H11FN2O2 — CID 122233169

IUPAC1-(6-fluoro-1-methylindol-2-yl)pyrrolidine-2,5-dione
SMILESCn1c(N2C(=O)CCC2=O)cc2ccc(F)cc21
InChIInChI=1S/C13H11FN2O2/c1-15-10-7-9(14)3-2-8(10)6-11(15)16-12(17)4-5-13(16)18/h2-3,6-7H,4-5H2,1H3
InChIKeyRMKMSERHMAFELZ-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.97
Rot. Bonds1

About 1-(6-fluoro-1-methylindol-2-yl)pyrrolidine-2,5-dione

1-(6-fluoro-1-methylindol-2-yl)pyrrolidine-2,5-dione (PubChem CID 122233169) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 1-(6-fluoro-1-methylindol-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(6-fluoro-1-methylindol-2-yl)pyrrolidine-2,5-dione
PubChem CID122233169
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name1-(6-fluoro-1-methylindol-2-yl)pyrrolidine-2,5-dione
SMILESCn1c(N2C(=O)CCC2=O)cc2ccc(F)cc21
InChIInChI=1S/C13H11FN2O2/c1-15-10-7-9(14)3-2-8(10)6-11(15)16-12(17)4-5-13(16)18/h2-3,6-7H,4-5H2,1H3
InChIKeyRMKMSERHMAFELZ-UHFFFAOYSA-N
XLogP1.97
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methyl-5-nitroindol-2-yl)pyrrolidine-2,5-dione
CID 122233175
3-(1-aminoethyl)-7-fluoro-1-methylquinolin-2-one
CID 84623500
6-fluoro-1-methylindole-2-carboxamide
CID 4777701
3-(2-aminoethyl)-7-fluoro-1-methylquinolin-2-one
CID 115031918
1-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]ethanone
CID 110850299
1-(4-fluorophenyl)-5-sulfanylidenepyrrolidin-2-one
CID 155676158
2-(6-fluoro-2-methylindol-1-yl)cyclohexan-1-one
CID 170555000
5-(6-fluoro-1-methylindol-2-yl)-1H-pyrazol-3-amine
CID 115107730
5-(6-fluoro-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid
CID 115109340
3-(5,7-dimethoxy-2-oxochromen-3-yl)-7-fluoro-1-methylquinolin-2-one
CID 177425154
5-fluoro-1,3-dimethylbenzimidazol-2-imine
CID 162722591
1-(3-fluorophenyl)piperidine-2,6-dione
CID 82077412

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-methylindol-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(6-fluoro-1-methylindol-2-yl)pyrrolidine-2,5-dione (CID 122233169) is 1-(6-fluoro-1-methylindol-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(6-fluoro-1-methylindol-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(6-fluoro-1-methylindol-2-yl)pyrrolidine-2,5-dione is Cn1c(N2C(=O)CCC2=O)cc2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoro-1-methylindol-2-yl)pyrrolidine-2,5-dione?
The InChIKey is RMKMSERHMAFELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-15-10-7-9(14)3-2-8(10)6-11(15)16-12(17)4-5-13(16)18/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 1-(6-fluoro-1-methylindol-2-yl)pyrrolidine-2,5-dione?
1-(6-fluoro-1-methylindol-2-yl)pyrrolidine-2,5-dione has a molecular weight of 246.24 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-methylindol-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 122233169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).