5-hydroxy-3,5-dimethyl-4-phenyl-1-(2-phenylethyl)pyrrol-2-one

C20H21NO2 — CID 134852875

IUPAC5-hydroxy-3,5-dimethyl-4-phenyl-1-(2-phenylethyl)pyrrol-2-one
SMILESCC1=C(c2ccccc2)C(C)(O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C20H21NO2/c1-15-18(17-11-7-4-8-12-17)20(2,23)21(19(15)22)14-13-16-9-5-3-6-10-16/h3-12,23H,13-14H2,1-2H3
InChIKeyXOMQVDXXLMWQOL-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.25
Rot. Bonds4

About 5-hydroxy-3,5-dimethyl-4-phenyl-1-(2-phenylethyl)pyrrol-2-one

5-hydroxy-3,5-dimethyl-4-phenyl-1-(2-phenylethyl)pyrrol-2-one (PubChem CID 134852875) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 5-hydroxy-3,5-dimethyl-4-phenyl-1-(2-phenylethyl)pyrrol-2-one.

Molecular Properties

Compound Name5-hydroxy-3,5-dimethyl-4-phenyl-1-(2-phenylethyl)pyrrol-2-one
PubChem CID134852875
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name5-hydroxy-3,5-dimethyl-4-phenyl-1-(2-phenylethyl)pyrrol-2-one
SMILESCC1=C(c2ccccc2)C(C)(O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C20H21NO2/c1-15-18(17-11-7-4-8-12-17)20(2,23)21(19(15)22)14-13-16-9-5-3-6-10-16/h3-12,23H,13-14H2,1-2H3
InChIKeyXOMQVDXXLMWQOL-UHFFFAOYSA-N
XLogP3.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,2-Dimethylpropanoyl)-2-pyrrolidinyl](diphenyl)methanol
CID 6544420
1-Benzyl-4-chloro-5-hydroxy-5-phenylpyrrol-2-one
CID 89913684
N-[(2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 24761779
(2S)-4-acetyl-1,2-dibenzyl-3-hydroxy-2H-pyrrol-5-one
CID 54693632
(2R)-4-acetyl-1,2-dibenzyl-3-hydroxy-2H-pyrrol-5-one
CID 54693634
3-Butyl-2-[(2-fluorophenyl)methyl]-3-hydroxy-4,5-dihydroisoindol-1-one
CID 168875450
LasB-IN-1
CID 168875457
3-Butyl-2-[(4-fluorophenyl)methyl]-3-hydroxy-4,5-dihydroisoindol-1-one
CID 168875465
3-Butyl-2-[(3-fluorophenyl)methyl]-3-hydroxy-4,5-dihydroisoindol-1-one
CID 168875467
4-Chloro-1-hexyl-5-hydroxy-5-phenylpyrrol-2-one
CID 89913625
Acetamide, N-ethyl-N-(3-hydroxy-1,3,3-triphenylpropyl)-
CID 26747
N-(1-Hydroxy-1-phenylpropan-2-yl)-N,2-dimethylprop-2-enamide
CID 38091

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,5-dimethyl-4-phenyl-1-(2-phenylethyl)pyrrol-2-one?
The IUPAC name of 5-hydroxy-3,5-dimethyl-4-phenyl-1-(2-phenylethyl)pyrrol-2-one (CID 134852875) is 5-hydroxy-3,5-dimethyl-4-phenyl-1-(2-phenylethyl)pyrrol-2-one.
What is the SMILES notation for 5-hydroxy-3,5-dimethyl-4-phenyl-1-(2-phenylethyl)pyrrol-2-one?
The canonical SMILES for 5-hydroxy-3,5-dimethyl-4-phenyl-1-(2-phenylethyl)pyrrol-2-one is CC1=C(c2ccccc2)C(C)(O)N(CCc2ccccc2)C1=O.
What is the InChIKey of 5-hydroxy-3,5-dimethyl-4-phenyl-1-(2-phenylethyl)pyrrol-2-one?
The InChIKey is XOMQVDXXLMWQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-15-18(17-11-7-4-8-12-17)20(2,23)21(19(15)22)14-13-16-9-5-3-6-10-16/h3-12,23H,13-14H2,1-2H3.
What are the key properties of 5-hydroxy-3,5-dimethyl-4-phenyl-1-(2-phenylethyl)pyrrol-2-one?
5-hydroxy-3,5-dimethyl-4-phenyl-1-(2-phenylethyl)pyrrol-2-one has a molecular weight of 307.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,5-dimethyl-4-phenyl-1-(2-phenylethyl)pyrrol-2-one is sourced from PubChem (CID 134852875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).