3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione

C17H15NO3 — CID 2925247

IUPAC3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccccc2)C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C17H15NO3/c19-15-8-6-14(7-9-15)18-16(20)11-13(17(18)21)10-12-4-2-1-3-5-12/h1-9,13,19H,10-11H2
InChIKeyAJCRDXAKXVCCSA-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.51
Rot. Bonds3

About 3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione

3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione (PubChem CID 2925247) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione
PubChem CID2925247
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccccc2)C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C17H15NO3/c19-15-8-6-14(7-9-15)18-16(20)11-13(17(18)21)10-12-4-2-1-3-5-12/h1-9,13,19H,10-11H2
InChIKeyAJCRDXAKXVCCSA-UHFFFAOYSA-N
XLogP2.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.51
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

Oxazolidin
CID 4641
Oxyphenbutazone, (S)-
CID 448033
N-(4-Hydroxyphenyl)Phthalimide
CID 252281
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
N-(4-hydroxyphenyl)-3,3-diphenylpropanamide
CID 836165
3-Benzyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 646754
N,N-bis(4-hydroxyphenyl)benzamide
CID 23582325
N-(4-hydroxyphenyl)-2-phenylacetamide
CID 5087947
N-(4-hydroxyphenyl)cyclohexanecarboxamide
CID 4056004
N-(4-hydroxyphenyl)-2-(4-isobutylphenyl)propanamide
CID 2849732
1-(3-Hydroxyphenyl)-3-phenyl-2,5-pyrrolidinedione
CID 2946011
1-Benzyl-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 44407147

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione (CID 2925247) is 3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione is O=C1CC(Cc2ccccc2)C(=O)N1c1ccc(O)cc1.
What is the InChIKey of 3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is AJCRDXAKXVCCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-15-8-6-14(7-9-15)18-16(20)11-13(17(18)21)10-12-4-2-1-3-5-12/h1-9,13,19H,10-11H2.
What are the key properties of 3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione?
3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 281.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2925247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).