5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one

C7H13NO2S — CID 118287828

IUPAC5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one
SMILESCOC1CC(SC)C(=O)N1C
InChIInChI=1S/C7H13NO2S/c1-8-6(10-2)4-5(11-3)7(8)9/h5-6H,4H2,1-3H3
InChIKeyCRXGNISQJSNMSF-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.55
Rot. Bonds2

About 5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one

5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one (PubChem CID 118287828) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one
PubChem CID118287828
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one
SMILESCOC1CC(SC)C(=O)N1C
InChIInChI=1S/C7H13NO2S/c1-8-6(10-2)4-5(11-3)7(8)9/h5-6H,4H2,1-3H3
InChIKeyCRXGNISQJSNMSF-UHFFFAOYSA-N
XLogP0.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one?
The IUPAC name of 5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one (CID 118287828) is 5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one.
What is the SMILES notation for 5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one?
The canonical SMILES for 5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one is COC1CC(SC)C(=O)N1C.
What is the InChIKey of 5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one?
The InChIKey is CRXGNISQJSNMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-8-6(10-2)4-5(11-3)7(8)9/h5-6H,4H2,1-3H3.
What are the key properties of 5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one?
5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one has a molecular weight of 175.25 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one is sourced from PubChem (CID 118287828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).