5-methylsulfanyl-2,4-dihydropyrrol-3-one

C5H7NOS — CID 59028792

IUPAC5-methylsulfanyl-2,4-dihydropyrrol-3-one
SMILESCSC1=NCC(=O)C1
InChIInChI=1S/C5H7NOS/c1-8-5-2-4(7)3-6-5/h2-3H2,1H3
InChIKeyJALYLMAHEYNMQX-UHFFFAOYSA-N
MW129.18 g/mol
LogP0.72
Rot. Bonds

About 5-methylsulfanyl-2,4-dihydropyrrol-3-one

5-methylsulfanyl-2,4-dihydropyrrol-3-one (PubChem CID 59028792) has the molecular formula C5H7NOS and a molecular weight of 129.18 g/mol. Its IUPAC name is 5-methylsulfanyl-2,4-dihydropyrrol-3-one.

Molecular Properties

Compound Name5-methylsulfanyl-2,4-dihydropyrrol-3-one
PubChem CID59028792
Molecular FormulaC5H7NOS
Molecular Weight129.18 g/mol
Exact Mass129.02
IUPAC Name5-methylsulfanyl-2,4-dihydropyrrol-3-one
SMILESCSC1=NCC(=O)C1
InChIInChI=1S/C5H7NOS/c1-8-5-2-4(7)3-6-5/h2-3H2,1H3
InChIKeyJALYLMAHEYNMQX-UHFFFAOYSA-N
XLogP0.72
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-2,4-dihydropyrrol-3-one?
The IUPAC name of 5-methylsulfanyl-2,4-dihydropyrrol-3-one (CID 59028792) is 5-methylsulfanyl-2,4-dihydropyrrol-3-one.
What is the SMILES notation for 5-methylsulfanyl-2,4-dihydropyrrol-3-one?
The canonical SMILES for 5-methylsulfanyl-2,4-dihydropyrrol-3-one is CSC1=NCC(=O)C1.
What is the InChIKey of 5-methylsulfanyl-2,4-dihydropyrrol-3-one?
The InChIKey is JALYLMAHEYNMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS/c1-8-5-2-4(7)3-6-5/h2-3H2,1H3.
What are the key properties of 5-methylsulfanyl-2,4-dihydropyrrol-3-one?
5-methylsulfanyl-2,4-dihydropyrrol-3-one has a molecular weight of 129.18 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-2,4-dihydropyrrol-3-one is sourced from PubChem (CID 59028792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).