1-(3-methylsulfanylpropyl)pyridin-2-one

C9H13NOS — CID 115650878

IUPAC1-(3-methylsulfanylpropyl)pyridin-2-one
SMILESCSCCCn1ccccc1=O
InChIInChI=1S/C9H13NOS/c1-12-8-4-7-10-6-3-2-5-9(10)11/h2-3,5-6H,4,7-8H2,1H3
InChIKeyDYFXLZIPYDPXOZ-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.60
Rot. Bonds4

About 1-(3-methylsulfanylpropyl)pyridin-2-one

1-(3-methylsulfanylpropyl)pyridin-2-one (PubChem CID 115650878) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-(3-methylsulfanylpropyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-methylsulfanylpropyl)pyridin-2-one
PubChem CID115650878
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name1-(3-methylsulfanylpropyl)pyridin-2-one
SMILESCSCCCn1ccccc1=O
InChIInChI=1S/C9H13NOS/c1-12-8-4-7-10-6-3-2-5-9(10)11/h2-3,5-6H,4,7-8H2,1H3
InChIKeyDYFXLZIPYDPXOZ-UHFFFAOYSA-N
XLogP1.60
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylpropyl)pyridin-2-one?
The IUPAC name of 1-(3-methylsulfanylpropyl)pyridin-2-one (CID 115650878) is 1-(3-methylsulfanylpropyl)pyridin-2-one.
What is the SMILES notation for 1-(3-methylsulfanylpropyl)pyridin-2-one?
The canonical SMILES for 1-(3-methylsulfanylpropyl)pyridin-2-one is CSCCCn1ccccc1=O.
What is the InChIKey of 1-(3-methylsulfanylpropyl)pyridin-2-one?
The InChIKey is DYFXLZIPYDPXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-12-8-4-7-10-6-3-2-5-9(10)11/h2-3,5-6H,4,7-8H2,1H3.
What are the key properties of 1-(3-methylsulfanylpropyl)pyridin-2-one?
1-(3-methylsulfanylpropyl)pyridin-2-one has a molecular weight of 183.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylpropyl)pyridin-2-one is sourced from PubChem (CID 115650878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).