ethane;3-ethyl-6-phenyl-1H-pyridin-2-one

C15H19NO — CID 145103811

IUPACethane;3-ethyl-6-phenyl-1H-pyridin-2-one
SMILESCC.CCc1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C13H13NO.C2H6/c1-2-10-8-9-12(14-13(10)15)11-6-4-3-5-7-11;1-2/h3-9H,2H2,1H3,(H,14,15);1-2H3
InChIKeyHJVBEDXLQIZNQS-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.63
Rot. Bonds2

About ethane;3-ethyl-6-phenyl-1H-pyridin-2-one

ethane;3-ethyl-6-phenyl-1H-pyridin-2-one (PubChem CID 145103811) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is ethane;3-ethyl-6-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Nameethane;3-ethyl-6-phenyl-1H-pyridin-2-one
PubChem CID145103811
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Nameethane;3-ethyl-6-phenyl-1H-pyridin-2-one
SMILESCC.CCc1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C13H13NO.C2H6/c1-2-10-8-9-12(14-13(10)15)11-6-4-3-5-7-11;1-2/h3-9H,2H2,1H3,(H,14,15);1-2H3
InChIKeyHJVBEDXLQIZNQS-UHFFFAOYSA-N
XLogP3.63
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-6-phenyl-1H-pyridin-2-one?
The IUPAC name of ethane;3-ethyl-6-phenyl-1H-pyridin-2-one (CID 145103811) is ethane;3-ethyl-6-phenyl-1H-pyridin-2-one.
What is the SMILES notation for ethane;3-ethyl-6-phenyl-1H-pyridin-2-one?
The canonical SMILES for ethane;3-ethyl-6-phenyl-1H-pyridin-2-one is CC.CCc1ccc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of ethane;3-ethyl-6-phenyl-1H-pyridin-2-one?
The InChIKey is HJVBEDXLQIZNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO.C2H6/c1-2-10-8-9-12(14-13(10)15)11-6-4-3-5-7-11;1-2/h3-9H,2H2,1H3,(H,14,15);1-2H3.
What are the key properties of ethane;3-ethyl-6-phenyl-1H-pyridin-2-one?
ethane;3-ethyl-6-phenyl-1H-pyridin-2-one has a molecular weight of 229.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-6-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 145103811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).