1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione

C15H17FN2O2 — CID 43840960

IUPAC1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(N3CCCC3)C2=O)c(F)c1
InChIInChI=1S/C15H17FN2O2/c1-10-4-5-12(11(16)8-10)18-14(19)9-13(15(18)20)17-6-2-3-7-17/h4-5,8,13H,2-3,6-7,9H2,1H3
InChIKeyJFUGLFGMVAGFNW-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.86
Rot. Bonds2

About 1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione

1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione (PubChem CID 43840960) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
PubChem CID43840960
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(N3CCCC3)C2=O)c(F)c1
InChIInChI=1S/C15H17FN2O2/c1-10-4-5-12(11(16)8-10)18-14(19)9-13(15(18)20)17-6-2-3-7-17/h4-5,8,13H,2-3,6-7,9H2,1H3
InChIKeyJFUGLFGMVAGFNW-UHFFFAOYSA-N
XLogP1.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.86
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

ethyl 1-[1-(2-fluoro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate
CID 43840943
1-[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 2942972
2-(2-fluoro-4-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79928985
1-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 27805299
1-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2832607
3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 2852672
1-(3,4-dimethylphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 2732619
(3S)-1-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 682977
(3R)-1-(2,4-difluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2107844
1-(2-methoxyphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 13220404
2-(2-fluoro-4-methylphenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79916660
ethyl (3R)-1-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate
CID 124833227

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione (CID 43840960) is 1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione is Cc1ccc(N2C(=O)CC(N3CCCC3)C2=O)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione?
The InChIKey is JFUGLFGMVAGFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10-4-5-12(11(16)8-10)18-14(19)9-13(15(18)20)17-6-2-3-7-17/h4-5,8,13H,2-3,6-7,9H2,1H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione?
1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione has a molecular weight of 276.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 43840960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).