1-(3-hydroxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione

C17H15NO3 — CID 60886395

IUPAC1-(3-hydroxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
SMILESCC1(c2ccccc2)CC(=O)N(c2cccc(O)c2)C1=O
InChIInChI=1S/C17H15NO3/c1-17(12-6-3-2-4-7-12)11-15(20)18(16(17)21)13-8-5-9-14(19)10-13/h2-10,19H,11H2,1H3
InChIKeySRKOIQXHHJCWLH-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.61
Rot. Bonds2

About 1-(3-hydroxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione

1-(3-hydroxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione (PubChem CID 60886395) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
PubChem CID60886395
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name1-(3-hydroxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
SMILESCC1(c2ccccc2)CC(=O)N(c2cccc(O)c2)C1=O
InChIInChI=1S/C17H15NO3/c1-17(12-6-3-2-4-7-12)11-15(20)18(16(17)21)13-8-5-9-14(19)10-13/h2-10,19H,11H2,1H3
InChIKeySRKOIQXHHJCWLH-UHFFFAOYSA-N
XLogP2.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(3-hydroxy-4-methoxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 47082455
1-(6-bromo-2-pyridinyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 43520700
1-(2,5-difluorophenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 47015641
2-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanoic acid
CID 43437460
(3R)-5-(3-chlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione
CID 1329982
1-(3-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione
CID 61037815
(3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 102187715
(3R)-3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione
CID 1331361
2-(3-hydroxyphenyl)-5-methyl-5-propan-2-yl-1,2-oxazolidin-3-one
CID 105496154
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 122190142
1-(1-aminobutan-2-yl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 65191301
1-(4-aminobutan-2-yl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 55033422

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-hydroxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione (CID 60886395) is 1-(3-hydroxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-hydroxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-hydroxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione is CC1(c2ccccc2)CC(=O)N(c2cccc(O)c2)C1=O.
What is the InChIKey of 1-(3-hydroxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione?
The InChIKey is SRKOIQXHHJCWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-17(12-6-3-2-4-7-12)11-15(20)18(16(17)21)13-8-5-9-14(19)10-13/h2-10,19H,11H2,1H3.
What are the key properties of 1-(3-hydroxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione?
1-(3-hydroxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione has a molecular weight of 281.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 60886395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).