5-ethylidene-3-ethylsulfanyl-1-methylpyrrolidin-2-one

C9H15NOS — CID 91608321

IUPAC5-ethylidene-3-ethylsulfanyl-1-methylpyrrolidin-2-one
SMILESCC=C1CC(SCC)C(=O)N1C
InChIInChI=1S/C9H15NOS/c1-4-7-6-8(12-5-2)9(11)10(7)3/h4,8H,5-6H2,1-3H3
InChIKeyHFMGJJAVIMHVEH-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.87
Rot. Bonds2

About 5-ethylidene-3-ethylsulfanyl-1-methylpyrrolidin-2-one

5-ethylidene-3-ethylsulfanyl-1-methylpyrrolidin-2-one (PubChem CID 91608321) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 5-ethylidene-3-ethylsulfanyl-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-ethylidene-3-ethylsulfanyl-1-methylpyrrolidin-2-one
PubChem CID91608321
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name5-ethylidene-3-ethylsulfanyl-1-methylpyrrolidin-2-one
SMILESCC=C1CC(SCC)C(=O)N1C
InChIInChI=1S/C9H15NOS/c1-4-7-6-8(12-5-2)9(11)10(7)3/h4,8H,5-6H2,1-3H3
InChIKeyHFMGJJAVIMHVEH-UHFFFAOYSA-N
XLogP1.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-3-ethylsulfanyl-1-methylpyrrolidin-2-one?
The IUPAC name of 5-ethylidene-3-ethylsulfanyl-1-methylpyrrolidin-2-one (CID 91608321) is 5-ethylidene-3-ethylsulfanyl-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-ethylidene-3-ethylsulfanyl-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-ethylidene-3-ethylsulfanyl-1-methylpyrrolidin-2-one is CC=C1CC(SCC)C(=O)N1C.
What is the InChIKey of 5-ethylidene-3-ethylsulfanyl-1-methylpyrrolidin-2-one?
The InChIKey is HFMGJJAVIMHVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-4-7-6-8(12-5-2)9(11)10(7)3/h4,8H,5-6H2,1-3H3.
What are the key properties of 5-ethylidene-3-ethylsulfanyl-1-methylpyrrolidin-2-one?
5-ethylidene-3-ethylsulfanyl-1-methylpyrrolidin-2-one has a molecular weight of 185.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-3-ethylsulfanyl-1-methylpyrrolidin-2-one is sourced from PubChem (CID 91608321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).