ethane;3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one

C10H15NOS — CID 143455097

IUPACethane;3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one
SMILESC=CSc1c(C)[nH]ccc1=O.CC
InChIInChI=1S/C8H9NOS.C2H6/c1-3-11-8-6(2)9-5-4-7(8)10;1-2/h3-5H,1H2,2H3,(H,9,10);1-2H3
InChIKeyVWWUNIKMFHAXMH-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.95
Rot. Bonds2

About ethane;3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one

ethane;3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one (PubChem CID 143455097) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is ethane;3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Nameethane;3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one
PubChem CID143455097
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Nameethane;3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one
SMILESC=CSc1c(C)[nH]ccc1=O.CC
InChIInChI=1S/C8H9NOS.C2H6/c1-3-11-8-6(2)9-5-4-7(8)10;1-2/h3-5H,1H2,2H3,(H,9,10);1-2H3
InChIKeyVWWUNIKMFHAXMH-UHFFFAOYSA-N
XLogP2.95
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one?
The IUPAC name of ethane;3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one (CID 143455097) is ethane;3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for ethane;3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one?
The canonical SMILES for ethane;3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one is C=CSc1c(C)[nH]ccc1=O.CC.
What is the InChIKey of ethane;3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one?
The InChIKey is VWWUNIKMFHAXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS.C2H6/c1-3-11-8-6(2)9-5-4-7(8)10;1-2/h3-5H,1H2,2H3,(H,9,10);1-2H3.
What are the key properties of ethane;3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one?
ethane;3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one has a molecular weight of 197.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 143455097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).