4-tert-butyl-1-[2-hydroxy-2-(3-methylphenyl)ethyl]pyrrolidin-2-one

C17H25NO2 — CID 104512641

IUPAC4-tert-butyl-1-[2-hydroxy-2-(3-methylphenyl)ethyl]pyrrolidin-2-one
SMILESCc1cccc(C(O)CN2CC(C(C)(C)C)CC2=O)c1
InChIInChI=1S/C17H25NO2/c1-12-6-5-7-13(8-12)15(19)11-18-10-14(9-16(18)20)17(2,3)4/h5-8,14-15,19H,9-11H2,1-4H3
InChIKeyLURVGRAESBMZCM-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.92
Rot. Bonds3

About 4-tert-butyl-1-[2-hydroxy-2-(3-methylphenyl)ethyl]pyrrolidin-2-one

4-tert-butyl-1-[2-hydroxy-2-(3-methylphenyl)ethyl]pyrrolidin-2-one (PubChem CID 104512641) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-tert-butyl-1-[2-hydroxy-2-(3-methylphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-[2-hydroxy-2-(3-methylphenyl)ethyl]pyrrolidin-2-one
PubChem CID104512641
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-tert-butyl-1-[2-hydroxy-2-(3-methylphenyl)ethyl]pyrrolidin-2-one
SMILESCc1cccc(C(O)CN2CC(C(C)(C)C)CC2=O)c1
InChIInChI=1S/C17H25NO2/c1-12-6-5-7-13(8-12)15(19)11-18-10-14(9-16(18)20)17(2,3)4/h5-8,14-15,19H,9-11H2,1-4H3
InChIKeyLURVGRAESBMZCM-UHFFFAOYSA-N
XLogP2.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-phenylpropyl)-4-tert-butylpyrrolidin-2-one
CID 104511323
(4-tert-butylcyclohexyl)-(3-methylphenyl)methanol
CID 65400122
1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one
CID 104511523
(5S)-5-tert-butyl-1-[(2S)-2-hydroxy-2-phenylethyl]azepan-2-one
CID 101253981
1-(3-bromo-2-methylpropyl)-4-tert-butylpyrrolidin-2-one
CID 104511319
1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyrrolidin-2-one
CID 63100802
4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one
CID 168698967
1-(2-amino-2-cyclopropylethyl)-4-tert-butylpyrrolidin-2-one
CID 104511575
2-(4-aminopiperidin-1-yl)-1-(3-methylphenyl)ethanol
CID 56771251
1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one
CID 104512576
1-(3-methylphenyl)-2-piperazin-1-ylethanol
CID 3677974
1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716694

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[2-hydroxy-2-(3-methylphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-tert-butyl-1-[2-hydroxy-2-(3-methylphenyl)ethyl]pyrrolidin-2-one (CID 104512641) is 4-tert-butyl-1-[2-hydroxy-2-(3-methylphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-tert-butyl-1-[2-hydroxy-2-(3-methylphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-tert-butyl-1-[2-hydroxy-2-(3-methylphenyl)ethyl]pyrrolidin-2-one is Cc1cccc(C(O)CN2CC(C(C)(C)C)CC2=O)c1.
What is the InChIKey of 4-tert-butyl-1-[2-hydroxy-2-(3-methylphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is LURVGRAESBMZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-6-5-7-13(8-12)15(19)11-18-10-14(9-16(18)20)17(2,3)4/h5-8,14-15,19H,9-11H2,1-4H3.
What are the key properties of 4-tert-butyl-1-[2-hydroxy-2-(3-methylphenyl)ethyl]pyrrolidin-2-one?
4-tert-butyl-1-[2-hydroxy-2-(3-methylphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 275.39 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[2-hydroxy-2-(3-methylphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 104512641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).