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

C16H13NO3 — CID 2946011

IUPAC1-(3-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)C(=O)N1c1cccc(O)c1
InChIInChI=1S/C16H13NO3/c18-13-8-4-7-12(9-13)17-15(19)10-14(16(17)20)11-5-2-1-3-6-11/h1-9,14,18H,10H2
InChIKeyPVBFUXQORGMKSO-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.44
Rot. Bonds2

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

1-(3-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione (PubChem CID 2946011) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione
PubChem CID2946011
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name1-(3-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)C(=O)N1c1cccc(O)c1
InChIInChI=1S/C16H13NO3/c18-13-8-4-7-12(9-13)17-15(19)10-14(16(17)20)11-5-2-1-3-6-11/h1-9,14,18H,10H2
InChIKeyPVBFUXQORGMKSO-UHFFFAOYSA-N
XLogP2.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.44
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

Benzamide, N-(3-hydroxyphenyl)-
CID 836140
Phthalimide, N-(m-hydroxyphenyl)-
CID 187955
6-hydroxy-2,3-dihydro-1H-indol-2-one
CID 2784139
3-[(3-hydroxyphenyl)amino]-4-phenyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539465
5-Hydroxy-2-(3-hydroxyphenyl)isoindoline-1,3-dione
CID 19793984
N-(3-hydroxyphenyl)-2-phenylacetamide
CID 312542
2,6-bis(3-hydroxyphenyl)octahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone
CID 3127894
N-(3-hydroxyphenyl)-2-(4-propan-2-ylphenyl)acetamide
CID 168284774
6-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)hexanamide
CID 1572660
1,2-Benzisoselenazol-3(2H)-one, 2-(3-hydroxyphenyl)-
CID 3067579
1-(3-Hydroxyphenyl)pyrrolidine-2,5-dione
CID 6951385
(3E)-6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 11989152

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione (CID 2946011) is 1-(3-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione is O=C1CC(c2ccccc2)C(=O)N1c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione?
The InChIKey is PVBFUXQORGMKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-13-8-4-7-12(9-13)17-15(19)10-14(16(17)20)11-5-2-1-3-6-11/h1-9,14,18H,10H2.
What are the key properties of 1-(3-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione?
1-(3-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione has a molecular weight of 267.28 g/mol, XLogP of 2.44, 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-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 2946011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).