1-(4-methoxyphenyl)-5-sulfanylidenepyrrol-2-one

C11H9NO2S — CID 11020381

IUPAC1-(4-methoxyphenyl)-5-sulfanylidenepyrrol-2-one
SMILESCOc1ccc(N2C(=O)C=CC2=S)cc1
InChIInChI=1S/C11H9NO2S/c1-14-9-4-2-8(3-5-9)12-10(13)6-7-11(12)15/h2-7H,1H3
InChIKeyMCLITIDJQRTFKI-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.93
Rot. Bonds2

About 1-(4-methoxyphenyl)-5-sulfanylidenepyrrol-2-one

1-(4-methoxyphenyl)-5-sulfanylidenepyrrol-2-one (PubChem CID 11020381) has the molecular formula C11H9NO2S and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-sulfanylidenepyrrol-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-sulfanylidenepyrrol-2-one
PubChem CID11020381
Molecular FormulaC11H9NO2S
Molecular Weight219.26 g/mol
Exact Mass219.04
IUPAC Name1-(4-methoxyphenyl)-5-sulfanylidenepyrrol-2-one
SMILESCOc1ccc(N2C(=O)C=CC2=S)cc1
InChIInChI=1S/C11H9NO2S/c1-14-9-4-2-8(3-5-9)12-10(13)6-7-11(12)15/h2-7H,1H3
InChIKeyMCLITIDJQRTFKI-UHFFFAOYSA-N
XLogP1.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4762463
(5S)-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 7129164
1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]phenoxy]phenyl]pyrrole-2,5-dione
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2-(4-methoxyphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 3577375
3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one
CID 682116
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one
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1-[4-[[[[[4-(2,5-dioxopyrrol-1-yl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxyphenyl]pyrrole-2,5-dione
CID 102277992
4-imino-1-(4-methoxyphenyl)-3-(4-methylphenyl)-5-sulfanylideneimidazolidin-2-one
CID 155817127
1-cyclopropyl-3-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 60836616
1-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]pyrrolidine-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-sulfanylidenepyrrol-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-5-sulfanylidenepyrrol-2-one (CID 11020381) is 1-(4-methoxyphenyl)-5-sulfanylidenepyrrol-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-sulfanylidenepyrrol-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-5-sulfanylidenepyrrol-2-one is COc1ccc(N2C(=O)C=CC2=S)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-sulfanylidenepyrrol-2-one?
The InChIKey is MCLITIDJQRTFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-14-9-4-2-8(3-5-9)12-10(13)6-7-11(12)15/h2-7H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-5-sulfanylidenepyrrol-2-one?
1-(4-methoxyphenyl)-5-sulfanylidenepyrrol-2-one has a molecular weight of 219.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-sulfanylidenepyrrol-2-one is sourced from PubChem (CID 11020381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).