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

C17H19NO2 — CID 63100802

IUPAC1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(CC(O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H19NO2/c1-12-8-17(20)18(10-12)11-16(19)15-7-6-13-4-2-3-5-14(13)9-15/h2-7,9,12,16,19H,8,10-11H2,1H3
InChIKeyKKHBQIXXJWZWPW-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.74
Rot. Bonds3

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

1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyrrolidin-2-one (PubChem CID 63100802) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyrrolidin-2-one
PubChem CID63100802
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(CC(O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H19NO2/c1-12-8-17(20)18(10-12)11-16(19)15-7-6-13-4-2-3-5-14(13)9-15/h2-7,9,12,16,19H,8,10-11H2,1H3
InChIKeyKKHBQIXXJWZWPW-UHFFFAOYSA-N
XLogP2.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-hydroxy-2-naphthalen-2-ylethyl)-1-methylimidazolidine-2,4-dione
CID 60969409
1-ethyl-3-(2-hydroxy-2-naphthalen-2-ylethyl)imidazol-2-one
CID 80580603
4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one
CID 168698967
2-(2,3-dimethylpiperidin-1-yl)-1-naphthalen-2-ylethanol
CID 62122893
1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyridin-2-one
CID 62963596
3-(2-hydroxy-2-naphthalen-2-ylethyl)pyrimidin-4-one
CID 63769203
4-(chloromethyl)-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one
CID 168506792
4-tert-butyl-1-[2-hydroxy-2-(3-methylphenyl)ethyl]pyrrolidin-2-one
CID 104512641
2-(3,4-dihydro-2H-quinolin-1-yl)-1-naphthalen-2-ylethanol
CID 82216010
1-(2-hydroxybutyl)-4-methylpyrrolidin-2-one
CID 63100793
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
2-(2-hydroxy-2-naphthalen-2-ylethyl)pyridazin-3-one
CID 62849976

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyrrolidin-2-one?
The IUPAC name of 1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyrrolidin-2-one (CID 63100802) is 1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyrrolidin-2-one is CC1CC(=O)N(CC(O)c2ccc3ccccc3c2)C1.
What is the InChIKey of 1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyrrolidin-2-one?
The InChIKey is KKHBQIXXJWZWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-8-17(20)18(10-12)11-16(19)15-7-6-13-4-2-3-5-14(13)9-15/h2-7,9,12,16,19H,8,10-11H2,1H3.
What are the key properties of 1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyrrolidin-2-one?
1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyrrolidin-2-one has a molecular weight of 269.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyrrolidin-2-one is sourced from PubChem (CID 63100802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).