3-benzoyl-1-hydroxypyrrolidine-2,5-dione;bis(pyrrole-2,5-dione)

C19H15N3O8 — CID 174708044

IUPAC3-benzoyl-1-hydroxypyrrolidine-2,5-dione;bis(pyrrole-2,5-dione)
SMILESO=C(c1ccccc1)C1CC(=O)N(O)C1=O.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1
InChIInChI=1S/C11H9NO4.2C4H3NO2/c13-9-6-8(11(15)12(9)16)10(14)7-4-2-1-3-5-7;2*6-3-1-2-4(7)5-3/h1-5,8,16H,6H2;2*1-2H,(H,5,6,7)
InChIKeyYRNDYMNTYIDFLS-UHFFFAOYSA-N
MW413.34 g/mol
LogP-0.97
Rot. Bonds2

About 3-benzoyl-1-hydroxypyrrolidine-2,5-dione;bis(pyrrole-2,5-dione)

3-benzoyl-1-hydroxypyrrolidine-2,5-dione;bis(pyrrole-2,5-dione) (PubChem CID 174708044) has the molecular formula C19H15N3O8 and a molecular weight of 413.34 g/mol. Its IUPAC name is 3-benzoyl-1-hydroxypyrrolidine-2,5-dione;bis(pyrrole-2,5-dione).

Molecular Properties

Compound Name3-benzoyl-1-hydroxypyrrolidine-2,5-dione;bis(pyrrole-2,5-dione)
PubChem CID174708044
Molecular FormulaC19H15N3O8
Molecular Weight413.34 g/mol
Exact Mass413.09
IUPAC Name3-benzoyl-1-hydroxypyrrolidine-2,5-dione;bis(pyrrole-2,5-dione)
SMILESO=C(c1ccccc1)C1CC(=O)N(O)C1=O.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1
InChIInChI=1S/C11H9NO4.2C4H3NO2/c13-9-6-8(11(15)12(9)16)10(14)7-4-2-1-3-5-7;2*6-3-1-2-4(7)5-3/h1-5,8,16H,6H2;2*1-2H,(H,5,6,7)
InChIKeyYRNDYMNTYIDFLS-UHFFFAOYSA-N
XLogP-0.97
TPSA167.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.34
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1-hydroxypyrrolidine-2,5-dione;bis(pyrrole-2,5-dione)?
The IUPAC name of 3-benzoyl-1-hydroxypyrrolidine-2,5-dione;bis(pyrrole-2,5-dione) (CID 174708044) is 3-benzoyl-1-hydroxypyrrolidine-2,5-dione;bis(pyrrole-2,5-dione).
What is the SMILES notation for 3-benzoyl-1-hydroxypyrrolidine-2,5-dione;bis(pyrrole-2,5-dione)?
The canonical SMILES for 3-benzoyl-1-hydroxypyrrolidine-2,5-dione;bis(pyrrole-2,5-dione) is O=C(c1ccccc1)C1CC(=O)N(O)C1=O.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1.
What is the InChIKey of 3-benzoyl-1-hydroxypyrrolidine-2,5-dione;bis(pyrrole-2,5-dione)?
The InChIKey is YRNDYMNTYIDFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4.2C4H3NO2/c13-9-6-8(11(15)12(9)16)10(14)7-4-2-1-3-5-7;2*6-3-1-2-4(7)5-3/h1-5,8,16H,6H2;2*1-2H,(H,5,6,7).
What are the key properties of 3-benzoyl-1-hydroxypyrrolidine-2,5-dione;bis(pyrrole-2,5-dione)?
3-benzoyl-1-hydroxypyrrolidine-2,5-dione;bis(pyrrole-2,5-dione) has a molecular weight of 413.34 g/mol, XLogP of -0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1-hydroxypyrrolidine-2,5-dione;bis(pyrrole-2,5-dione) is sourced from PubChem (CID 174708044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).