4-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-one

C16H21NO2 — CID 63102645

IUPAC4-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-one
SMILESCC1CC(=O)N(CC(=O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C16H21NO2/c1-11(2)13-4-6-14(7-5-13)15(18)10-17-9-12(3)8-16(17)19/h4-7,11-12H,8-10H2,1-3H3
InChIKeyZVGWYEMEILTZFA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.86
Rot. Bonds4

About 4-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-one

4-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-one (PubChem CID 63102645) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-one
PubChem CID63102645
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name4-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-one
SMILESCC1CC(=O)N(CC(=O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C16H21NO2/c1-11(2)13-4-6-14(7-5-13)15(18)10-17-9-12(3)8-16(17)19/h4-7,11-12H,8-10H2,1-3H3
InChIKeyZVGWYEMEILTZFA-UHFFFAOYSA-N
XLogP2.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-ethylphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 55177462
1-[2-(2-chlorophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 63104444
1-[2-(ethylamino)-2-(4-propan-2-ylphenyl)ethyl]-4-methylpyrrolidin-2-one
CID 63103731
1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 63102277
1-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
CID 79506256
4-tert-butyl-1-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512255
1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103499002
1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512179
N-(4-aminophenyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide
CID 63103199
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535
4-methyl-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrrolidin-2-one
CID 63102450
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-one (CID 63102645) is 4-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-one is CC1CC(=O)N(CC(=O)c2ccc(C(C)C)cc2)C1.
What is the InChIKey of 4-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is ZVGWYEMEILTZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11(2)13-4-6-14(7-5-13)15(18)10-17-9-12(3)8-16(17)19/h4-7,11-12H,8-10H2,1-3H3.
What are the key properties of 4-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-one?
4-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 63102645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).