5-phenylpyrrolidine-2,4-dione

C10H9NO2 — CID 23273661

IUPAC5-phenylpyrrolidine-2,4-dione
SMILESO=C1CC(=O)C(c2ccccc2)N1
InChIInChI=1S/C10H9NO2/c12-8-6-9(13)11-10(8)7-4-2-1-3-5-7/h1-5,10H,6H2,(H,11,13)
InChIKeyLSZJFPBAFFVDNJ-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.82
Rot. Bonds1

About 5-phenylpyrrolidine-2,4-dione

5-phenylpyrrolidine-2,4-dione (PubChem CID 23273661) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-phenylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name5-phenylpyrrolidine-2,4-dione
PubChem CID23273661
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name5-phenylpyrrolidine-2,4-dione
SMILESO=C1CC(=O)C(c2ccccc2)N1
InChIInChI=1S/C10H9NO2/c12-8-6-9(13)11-10(8)7-4-2-1-3-5-7/h1-5,10H,6H2,(H,11,13)
InChIKeyLSZJFPBAFFVDNJ-UHFFFAOYSA-N
XLogP0.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-phenylpyrrolidine-2,4-dione?
The IUPAC name of 5-phenylpyrrolidine-2,4-dione (CID 23273661) is 5-phenylpyrrolidine-2,4-dione.
What is the SMILES notation for 5-phenylpyrrolidine-2,4-dione?
The canonical SMILES for 5-phenylpyrrolidine-2,4-dione is O=C1CC(=O)C(c2ccccc2)N1.
What is the InChIKey of 5-phenylpyrrolidine-2,4-dione?
The InChIKey is LSZJFPBAFFVDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-8-6-9(13)11-10(8)7-4-2-1-3-5-7/h1-5,10H,6H2,(H,11,13).
What are the key properties of 5-phenylpyrrolidine-2,4-dione?
5-phenylpyrrolidine-2,4-dione has a molecular weight of 175.19 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpyrrolidine-2,4-dione is sourced from PubChem (CID 23273661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).