1-(3-methylphenyl)-5-sulfanylidenepyrrolidin-2-one

C11H11NOS — CID 141465001

IUPAC1-(3-methylphenyl)-5-sulfanylidenepyrrolidin-2-one
SMILESCc1cccc(N2C(=O)CCC2=S)c1
InChIInChI=1S/C11H11NOS/c1-8-3-2-4-9(7-8)12-10(13)5-6-11(12)14/h2-4,7H,5-6H2,1H3
InChIKeyVGBHMZWIIPKWRN-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.45
Rot. Bonds1

About 1-(3-methylphenyl)-5-sulfanylidenepyrrolidin-2-one

1-(3-methylphenyl)-5-sulfanylidenepyrrolidin-2-one (PubChem CID 141465001) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-(3-methylphenyl)-5-sulfanylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-methylphenyl)-5-sulfanylidenepyrrolidin-2-one
PubChem CID141465001
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name1-(3-methylphenyl)-5-sulfanylidenepyrrolidin-2-one
SMILESCc1cccc(N2C(=O)CCC2=S)c1
InChIInChI=1S/C11H11NOS/c1-8-3-2-4-9(7-8)12-10(13)5-6-11(12)14/h2-4,7H,5-6H2,1H3
InChIKeyVGBHMZWIIPKWRN-UHFFFAOYSA-N
XLogP2.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.45
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

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1-(3-methylphenyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 56977746
CID 58466012
CID 58466012
1-(4-fluorophenyl)-5-sulfanylidenepyrrolidin-2-one
CID 155676158
1-(4-chlorophenyl)-5-sulfanylidenepyrrolidin-2-one
CID 71437683
3-(3-methylphenyl)-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 60837913
1-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrole-2,5-dione
CID 70995531
6-methyl-3-(3-methylphenyl)-1,3-diazepane-2,4-dione
CID 81070323
(3S)-1-(3-methylphenyl)-3-[4-[(3S)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione
CID 6962996
(1R,2S,6S,7R)-4-(3-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98048452
7-(3-methylphenyl)-5,7-diazaspiro[3.5]nonane-6,8-dione
CID 79852183
2-ethenyl-1-(3-methylphenyl)pyrazolidin-3-one
CID 155673538

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-5-sulfanylidenepyrrolidin-2-one?
The IUPAC name of 1-(3-methylphenyl)-5-sulfanylidenepyrrolidin-2-one (CID 141465001) is 1-(3-methylphenyl)-5-sulfanylidenepyrrolidin-2-one.
What is the SMILES notation for 1-(3-methylphenyl)-5-sulfanylidenepyrrolidin-2-one?
The canonical SMILES for 1-(3-methylphenyl)-5-sulfanylidenepyrrolidin-2-one is Cc1cccc(N2C(=O)CCC2=S)c1.
What is the InChIKey of 1-(3-methylphenyl)-5-sulfanylidenepyrrolidin-2-one?
The InChIKey is VGBHMZWIIPKWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-8-3-2-4-9(7-8)12-10(13)5-6-11(12)14/h2-4,7H,5-6H2,1H3.
What are the key properties of 1-(3-methylphenyl)-5-sulfanylidenepyrrolidin-2-one?
1-(3-methylphenyl)-5-sulfanylidenepyrrolidin-2-one has a molecular weight of 205.28 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-5-sulfanylidenepyrrolidin-2-one is sourced from PubChem (CID 141465001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).