4-phenylsulfanyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one

C14H15NOS — CID 71545450

IUPAC4-phenylsulfanyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one
SMILESC=CCC1CC(Sc2ccccc2)=CC(=O)N1
InChIInChI=1S/C14H15NOS/c1-2-6-11-9-13(10-14(16)15-11)17-12-7-4-3-5-8-12/h2-5,7-8,10-11H,1,6,9H2,(H,15,16)
InChIKeyIFJIZEJIBISBGG-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.13
Rot. Bonds4

About 4-phenylsulfanyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one

4-phenylsulfanyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one (PubChem CID 71545450) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-phenylsulfanyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name4-phenylsulfanyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one
PubChem CID71545450
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name4-phenylsulfanyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one
SMILESC=CCC1CC(Sc2ccccc2)=CC(=O)N1
InChIInChI=1S/C14H15NOS/c1-2-6-11-9-13(10-14(16)15-11)17-12-7-4-3-5-8-12/h2-5,7-8,10-11H,1,6,9H2,(H,15,16)
InChIKeyIFJIZEJIBISBGG-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 100981760
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CID 101198941
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(2S,6S)-4-benzyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
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Frequently Asked Questions

What is the IUPAC name of 4-phenylsulfanyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 4-phenylsulfanyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one (CID 71545450) is 4-phenylsulfanyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 4-phenylsulfanyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 4-phenylsulfanyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one is C=CCC1CC(Sc2ccccc2)=CC(=O)N1.
What is the InChIKey of 4-phenylsulfanyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is IFJIZEJIBISBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-2-6-11-9-13(10-14(16)15-11)17-12-7-4-3-5-8-12/h2-5,7-8,10-11H,1,6,9H2,(H,15,16).
What are the key properties of 4-phenylsulfanyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one?
4-phenylsulfanyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 245.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylsulfanyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 71545450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).