1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyridin-2-one

C18H17NO2 — CID 62963596

IUPAC1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyridin-2-one
SMILESCc1ccn(CC(O)c2ccc3ccccc3c2)c(=O)c1
InChIInChI=1S/C18H17NO2/c1-13-8-9-19(18(21)10-13)12-17(20)16-7-6-14-4-2-3-5-15(14)11-16/h2-11,17,20H,12H2,1H3
InChIKeyIEYXQFNWDHGPJS-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.04
Rot. Bonds3

About 1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyridin-2-one

1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyridin-2-one (PubChem CID 62963596) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyridin-2-one
PubChem CID62963596
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyridin-2-one
SMILESCc1ccn(CC(O)c2ccc3ccccc3c2)c(=O)c1
InChIInChI=1S/C18H17NO2/c1-13-8-9-19(18(21)10-13)12-17(20)16-7-6-14-4-2-3-5-15(14)11-16/h2-11,17,20H,12H2,1H3
InChIKeyIEYXQFNWDHGPJS-UHFFFAOYSA-N
XLogP3.04
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2-phenylethyl)-4-methylpyridin-2-one
CID 55153499
1-ethyl-3-(2-hydroxy-2-naphthalen-2-ylethyl)imidazol-2-one
CID 80580603
3-(2-hydroxy-2-naphthalen-2-ylethyl)pyrimidin-4-one
CID 63769203
2-(2-hydroxy-2-naphthalen-2-ylethyl)pyridazin-3-one
CID 62849976
1-(3-amino-2-hydroxypropyl)-4-methylpyridin-2-one
CID 62962681
3-(2-hydroxy-2-naphthalen-2-ylethyl)-1-methylimidazolidine-2,4-dione
CID 60969409
1-[2-hydroxy-3-(methylamino)propyl]-4-methylpyridin-2-one
CID 62962682
1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyrrolidin-2-one
CID 63100802
2-(dimethylamino)-1-naphthalen-2-ylethanol
CID 60981028
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
(1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol
CID 102244244
1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpyridin-2-one
CID 104753235

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyridin-2-one?
The IUPAC name of 1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyridin-2-one (CID 62963596) is 1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyridin-2-one.
What is the SMILES notation for 1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyridin-2-one?
The canonical SMILES for 1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyridin-2-one is Cc1ccn(CC(O)c2ccc3ccccc3c2)c(=O)c1.
What is the InChIKey of 1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyridin-2-one?
The InChIKey is IEYXQFNWDHGPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13-8-9-19(18(21)10-13)12-17(20)16-7-6-14-4-2-3-5-15(14)11-16/h2-11,17,20H,12H2,1H3.
What are the key properties of 1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyridin-2-one?
1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyridin-2-one has a molecular weight of 279.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyridin-2-one is sourced from PubChem (CID 62963596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).