1-cyclobutyl-4-methylsulfanylpyridin-2-one

C10H13NOS — CID 123358421

IUPAC1-cyclobutyl-4-methylsulfanylpyridin-2-one
SMILESCSc1ccn(C2CCC2)c(=O)c1
InChIInChI=1S/C10H13NOS/c1-13-9-5-6-11(10(12)7-9)8-3-2-4-8/h5-8H,2-4H2,1H3
InChIKeyNWCDPNREVPHOGZ-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.30
Rot. Bonds2

About 1-cyclobutyl-4-methylsulfanylpyridin-2-one

1-cyclobutyl-4-methylsulfanylpyridin-2-one (PubChem CID 123358421) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-cyclobutyl-4-methylsulfanylpyridin-2-one.

Molecular Properties

Compound Name1-cyclobutyl-4-methylsulfanylpyridin-2-one
PubChem CID123358421
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name1-cyclobutyl-4-methylsulfanylpyridin-2-one
SMILESCSc1ccn(C2CCC2)c(=O)c1
InChIInChI=1S/C10H13NOS/c1-13-9-5-6-11(10(12)7-9)8-3-2-4-8/h5-8H,2-4H2,1H3
InChIKeyNWCDPNREVPHOGZ-UHFFFAOYSA-N
XLogP2.30
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-methylsulfanylpyridin-2-one?
The IUPAC name of 1-cyclobutyl-4-methylsulfanylpyridin-2-one (CID 123358421) is 1-cyclobutyl-4-methylsulfanylpyridin-2-one.
What is the SMILES notation for 1-cyclobutyl-4-methylsulfanylpyridin-2-one?
The canonical SMILES for 1-cyclobutyl-4-methylsulfanylpyridin-2-one is CSc1ccn(C2CCC2)c(=O)c1.
What is the InChIKey of 1-cyclobutyl-4-methylsulfanylpyridin-2-one?
The InChIKey is NWCDPNREVPHOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-13-9-5-6-11(10(12)7-9)8-3-2-4-8/h5-8H,2-4H2,1H3.
What are the key properties of 1-cyclobutyl-4-methylsulfanylpyridin-2-one?
1-cyclobutyl-4-methylsulfanylpyridin-2-one has a molecular weight of 195.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-methylsulfanylpyridin-2-one is sourced from PubChem (CID 123358421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).