3-[(2,4-dihydroxyphenyl)methyl]-1-ethoxypyrrolidine-2,5-dione

C13H15NO5 — CID 57388210

IUPAC3-[(2,4-dihydroxyphenyl)methyl]-1-ethoxypyrrolidine-2,5-dione
SMILESCCON1C(=O)CC(Cc2ccc(O)cc2O)C1=O
InChIInChI=1S/C13H15NO5/c1-2-19-14-12(17)6-9(13(14)18)5-8-3-4-10(15)7-11(8)16/h3-4,7,9,15-16H,2,5-6H2,1H3
InChIKeyRQYDBTZYBFPWKW-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.97
Rot. Bonds4

About 3-[(2,4-dihydroxyphenyl)methyl]-1-ethoxypyrrolidine-2,5-dione

3-[(2,4-dihydroxyphenyl)methyl]-1-ethoxypyrrolidine-2,5-dione (PubChem CID 57388210) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 3-[(2,4-dihydroxyphenyl)methyl]-1-ethoxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2,4-dihydroxyphenyl)methyl]-1-ethoxypyrrolidine-2,5-dione
PubChem CID57388210
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name3-[(2,4-dihydroxyphenyl)methyl]-1-ethoxypyrrolidine-2,5-dione
SMILESCCON1C(=O)CC(Cc2ccc(O)cc2O)C1=O
InChIInChI=1S/C13H15NO5/c1-2-19-14-12(17)6-9(13(14)18)5-8-3-4-10(15)7-11(8)16/h3-4,7,9,15-16H,2,5-6H2,1H3
InChIKeyRQYDBTZYBFPWKW-UHFFFAOYSA-N
XLogP0.97
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dihydroxyphenyl)methyl]-1-ethoxypyrrolidine-2,5-dione?
The IUPAC name of 3-[(2,4-dihydroxyphenyl)methyl]-1-ethoxypyrrolidine-2,5-dione (CID 57388210) is 3-[(2,4-dihydroxyphenyl)methyl]-1-ethoxypyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2,4-dihydroxyphenyl)methyl]-1-ethoxypyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2,4-dihydroxyphenyl)methyl]-1-ethoxypyrrolidine-2,5-dione is CCON1C(=O)CC(Cc2ccc(O)cc2O)C1=O.
What is the InChIKey of 3-[(2,4-dihydroxyphenyl)methyl]-1-ethoxypyrrolidine-2,5-dione?
The InChIKey is RQYDBTZYBFPWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-2-19-14-12(17)6-9(13(14)18)5-8-3-4-10(15)7-11(8)16/h3-4,7,9,15-16H,2,5-6H2,1H3.
What are the key properties of 3-[(2,4-dihydroxyphenyl)methyl]-1-ethoxypyrrolidine-2,5-dione?
3-[(2,4-dihydroxyphenyl)methyl]-1-ethoxypyrrolidine-2,5-dione has a molecular weight of 265.26 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dihydroxyphenyl)methyl]-1-ethoxypyrrolidine-2,5-dione is sourced from PubChem (CID 57388210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).