4-ethylsulfanyl-1-methyl-5-methylidenepyrrolidin-2-one

C8H13NOS — CID 89277049

IUPAC4-ethylsulfanyl-1-methyl-5-methylidenepyrrolidin-2-one
SMILESC=C1C(SCC)CC(=O)N1C
InChIInChI=1S/C8H13NOS/c1-4-11-7-5-8(10)9(3)6(7)2/h7H,2,4-5H2,1,3H3
InChIKeyPLJHKOVNOLRDLP-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.48
Rot. Bonds2

About 4-ethylsulfanyl-1-methyl-5-methylidenepyrrolidin-2-one

4-ethylsulfanyl-1-methyl-5-methylidenepyrrolidin-2-one (PubChem CID 89277049) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 4-ethylsulfanyl-1-methyl-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name4-ethylsulfanyl-1-methyl-5-methylidenepyrrolidin-2-one
PubChem CID89277049
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name4-ethylsulfanyl-1-methyl-5-methylidenepyrrolidin-2-one
SMILESC=C1C(SCC)CC(=O)N1C
InChIInChI=1S/C8H13NOS/c1-4-11-7-5-8(10)9(3)6(7)2/h7H,2,4-5H2,1,3H3
InChIKeyPLJHKOVNOLRDLP-UHFFFAOYSA-N
XLogP1.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-1-methyl-5-methylidenepyrrolidin-2-one?
The IUPAC name of 4-ethylsulfanyl-1-methyl-5-methylidenepyrrolidin-2-one (CID 89277049) is 4-ethylsulfanyl-1-methyl-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for 4-ethylsulfanyl-1-methyl-5-methylidenepyrrolidin-2-one?
The canonical SMILES for 4-ethylsulfanyl-1-methyl-5-methylidenepyrrolidin-2-one is C=C1C(SCC)CC(=O)N1C.
What is the InChIKey of 4-ethylsulfanyl-1-methyl-5-methylidenepyrrolidin-2-one?
The InChIKey is PLJHKOVNOLRDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-4-11-7-5-8(10)9(3)6(7)2/h7H,2,4-5H2,1,3H3.
What are the key properties of 4-ethylsulfanyl-1-methyl-5-methylidenepyrrolidin-2-one?
4-ethylsulfanyl-1-methyl-5-methylidenepyrrolidin-2-one has a molecular weight of 171.26 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-1-methyl-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 89277049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).