ethane;1-(4-propan-2-ylphenyl)pyridin-2-one

C16H21NO — CID 167489788

IUPACethane;1-(4-propan-2-ylphenyl)pyridin-2-one
SMILESCC.CC(C)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C14H15NO.C2H6/c1-11(2)12-6-8-13(9-7-12)15-10-4-3-5-14(15)16;1-2/h3-11H,1-2H3;1-2H3
InChIKeyHZLABMXSDQUMER-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.99
Rot. Bonds2

About ethane;1-(4-propan-2-ylphenyl)pyridin-2-one

ethane;1-(4-propan-2-ylphenyl)pyridin-2-one (PubChem CID 167489788) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is ethane;1-(4-propan-2-ylphenyl)pyridin-2-one.

Molecular Properties

Compound Nameethane;1-(4-propan-2-ylphenyl)pyridin-2-one
PubChem CID167489788
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Nameethane;1-(4-propan-2-ylphenyl)pyridin-2-one
SMILESCC.CC(C)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C14H15NO.C2H6/c1-11(2)12-6-8-13(9-7-12)15-10-4-3-5-14(15)16;1-2/h3-11H,1-2H3;1-2H3
InChIKeyHZLABMXSDQUMER-UHFFFAOYSA-N
XLogP3.99
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)pyridin-2-one
CID 10821386
1-(4-chlorophenyl)pyridin-2-one
CID 68957992
1-[1-(4-propan-2-ylphenyl)pyrrol-2-yl]ethanone
CID 70840684
1-ethyl-3-(4-propan-2-ylphenyl)imidazol-2-one
CID 159085099
1-(6-chloro-3-pyridinyl)pyridin-2-one
CID 135221335
ethane;5-methyl-1-[4-(2-oxo-1-pyridinyl)phenyl]imidazole-4-carbaldehyde
CID 143577507
cumene;ethane
CID 54306132
molecular hydrogen;4-(2-oxo-1-pyridinyl)benzamide
CID 143214195
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
N'-hydroxy-4-(2-oxo-1-pyridinyl)benzenecarboximidamide
CID 76573123
3,4-diphenyl-1-(4-propan-2-ylphenyl)pyrrole
CID 102125597
1-(5-methylthiophen-2-yl)pyridin-2-one
CID 23543286

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-propan-2-ylphenyl)pyridin-2-one?
The IUPAC name of ethane;1-(4-propan-2-ylphenyl)pyridin-2-one (CID 167489788) is ethane;1-(4-propan-2-ylphenyl)pyridin-2-one.
What is the SMILES notation for ethane;1-(4-propan-2-ylphenyl)pyridin-2-one?
The canonical SMILES for ethane;1-(4-propan-2-ylphenyl)pyridin-2-one is CC.CC(C)c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of ethane;1-(4-propan-2-ylphenyl)pyridin-2-one?
The InChIKey is HZLABMXSDQUMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO.C2H6/c1-11(2)12-6-8-13(9-7-12)15-10-4-3-5-14(15)16;1-2/h3-11H,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-propan-2-ylphenyl)pyridin-2-one?
ethane;1-(4-propan-2-ylphenyl)pyridin-2-one has a molecular weight of 243.35 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-propan-2-ylphenyl)pyridin-2-one is sourced from PubChem (CID 167489788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).