(2-oxo-5-sulfanylidenepyrrolidin-1-yl) butanoate

C8H11NO3S — CID 141124175

IUPAC(2-oxo-5-sulfanylidenepyrrolidin-1-yl) butanoate
SMILESCCCC(=O)ON1C(=O)CCC1=S
InChIInChI=1S/C8H11NO3S/c1-2-3-8(11)12-9-6(10)4-5-7(9)13/h2-5H2,1H3
InChIKeyRFDNRFQYUPZTKU-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.19
Rot. Bonds3

About (2-oxo-5-sulfanylidenepyrrolidin-1-yl) butanoate

(2-oxo-5-sulfanylidenepyrrolidin-1-yl) butanoate (PubChem CID 141124175) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is (2-oxo-5-sulfanylidenepyrrolidin-1-yl) butanoate.

Molecular Properties

Compound Name(2-oxo-5-sulfanylidenepyrrolidin-1-yl) butanoate
PubChem CID141124175
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name(2-oxo-5-sulfanylidenepyrrolidin-1-yl) butanoate
SMILESCCCC(=O)ON1C(=O)CCC1=S
InChIInChI=1S/C8H11NO3S/c1-2-3-8(11)12-9-6(10)4-5-7(9)13/h2-5H2,1H3
InChIKeyRFDNRFQYUPZTKU-UHFFFAOYSA-N
XLogP1.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
1-O-(2-hydroxyethyl) 6-O-(2-oxo-5-sulfanylidenepyrrolidin-1-yl) hexanedioate
CID 87744435
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate
CID 88545010
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242
(2,5-dioxopyrrolidin-1-yl) 3-ethoxypropanoate;methane
CID 158347666
(2,5-dioxopyrrolidin-1-yl) 4-oxo-4-propylsulfanylbutanoate
CID 90193619
tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium
CID 102579235
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane
CID 178100536
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoate
CID 135157347

Frequently Asked Questions

What is the IUPAC name of (2-oxo-5-sulfanylidenepyrrolidin-1-yl) butanoate?
The IUPAC name of (2-oxo-5-sulfanylidenepyrrolidin-1-yl) butanoate (CID 141124175) is (2-oxo-5-sulfanylidenepyrrolidin-1-yl) butanoate.
What is the SMILES notation for (2-oxo-5-sulfanylidenepyrrolidin-1-yl) butanoate?
The canonical SMILES for (2-oxo-5-sulfanylidenepyrrolidin-1-yl) butanoate is CCCC(=O)ON1C(=O)CCC1=S.
What is the InChIKey of (2-oxo-5-sulfanylidenepyrrolidin-1-yl) butanoate?
The InChIKey is RFDNRFQYUPZTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-2-3-8(11)12-9-6(10)4-5-7(9)13/h2-5H2,1H3.
What are the key properties of (2-oxo-5-sulfanylidenepyrrolidin-1-yl) butanoate?
(2-oxo-5-sulfanylidenepyrrolidin-1-yl) butanoate has a molecular weight of 201.25 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-5-sulfanylidenepyrrolidin-1-yl) butanoate is sourced from PubChem (CID 141124175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).