3-phenylpyrrolidine-2,5-dione

C10H9NO2 — CID 568890

IUPAC3-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)C(=O)N1
InChIInChI=1S/C10H9NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)
InChIKeyFVSWNQYFMNGPLF-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.82
Rot. Bonds1

About 3-phenylpyrrolidine-2,5-dione

3-phenylpyrrolidine-2,5-dione (PubChem CID 568890) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-phenylpyrrolidine-2,5-dione
PubChem CID568890
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name3-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)C(=O)N1
InChIInChI=1S/C10H9NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)
InChIKeyFVSWNQYFMNGPLF-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': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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Fonturacetam
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2-Phenylbutanamide
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4-Phenyl-2-pyrrolidinone
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CID 1999
5-Benzylpyrrolidin-2-One
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Fenimide
CID 6068
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CID 92154

Frequently Asked Questions

What is the IUPAC name of 3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-phenylpyrrolidine-2,5-dione (CID 568890) is 3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-phenylpyrrolidine-2,5-dione is O=C1CC(c2ccccc2)C(=O)N1.
What is the InChIKey of 3-phenylpyrrolidine-2,5-dione?
The InChIKey is FVSWNQYFMNGPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13).
What are the key properties of 3-phenylpyrrolidine-2,5-dione?
3-phenylpyrrolidine-2,5-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 3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 568890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).