1-(4-fluorophenyl)-5-sulfanylidenepyrrolidin-2-one

C10H8FNOS — CID 155676158

IUPAC1-(4-fluorophenyl)-5-sulfanylidenepyrrolidin-2-one
SMILESO=C1CCC(=S)N1c1ccc(F)cc1
InChIInChI=1S/C10H8FNOS/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-4H,5-6H2
InChIKeyDMAHMJDFMNENPG-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.28
Rot. Bonds1

About 1-(4-fluorophenyl)-5-sulfanylidenepyrrolidin-2-one

1-(4-fluorophenyl)-5-sulfanylidenepyrrolidin-2-one (PubChem CID 155676158) has the molecular formula C10H8FNOS and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-sulfanylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-sulfanylidenepyrrolidin-2-one
PubChem CID155676158
Molecular FormulaC10H8FNOS
Molecular Weight209.25 g/mol
Exact Mass209.03
IUPAC Name1-(4-fluorophenyl)-5-sulfanylidenepyrrolidin-2-one
SMILESO=C1CCC(=S)N1c1ccc(F)cc1
InChIInChI=1S/C10H8FNOS/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-4H,5-6H2
InChIKeyDMAHMJDFMNENPG-UHFFFAOYSA-N
XLogP2.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-5-sulfanylidenepyrrolidin-2-one
CID 71437683
1-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 917152
3-(4-fluorophenyl)-1,3-diazepane-2,4-dione
CID 80541122
1,3-bis(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 155023000
1-(3-methylphenyl)-5-sulfanylidenepyrrolidin-2-one
CID 141465001
3-(4-fluorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione
CID 2812855
3-(4-fluorophenyl)-1-phenyl-1,3-diazinane-2,4-dione
CID 60835786
1-(4-sulfanylphenyl)pyrrolidine-2,5-dione
CID 132842992
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204262
1-[4-[4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]anilino]phenyl]pyrrolidine-2,5-dione
CID 86007411
3-(4-fluorophenyl)-5-methylidene-2-sulfanylidene-1,3-thiazolidin-4-one
CID 140913427
1-(4-fluorophenyl)piperazine-2,5-dione
CID 64955202

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-sulfanylidenepyrrolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-5-sulfanylidenepyrrolidin-2-one (CID 155676158) is 1-(4-fluorophenyl)-5-sulfanylidenepyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-sulfanylidenepyrrolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-sulfanylidenepyrrolidin-2-one is O=C1CCC(=S)N1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-sulfanylidenepyrrolidin-2-one?
The InChIKey is DMAHMJDFMNENPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNOS/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-4H,5-6H2.
What are the key properties of 1-(4-fluorophenyl)-5-sulfanylidenepyrrolidin-2-one?
1-(4-fluorophenyl)-5-sulfanylidenepyrrolidin-2-one has a molecular weight of 209.25 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-sulfanylidenepyrrolidin-2-one is sourced from PubChem (CID 155676158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).