1-bromo-3-phenyl-3-phosphanylpyrrolidine-2,5-dione

C10H9BrNO2P — CID 140973792

IUPAC1-bromo-3-phenyl-3-phosphanylpyrrolidine-2,5-dione
SMILESO=C1CC(P)(c2ccccc2)C(=O)N1Br
InChIInChI=1S/C10H9BrNO2P/c11-12-8(13)6-10(15,9(12)14)7-4-2-1-3-5-7/h1-5H,6,15H2
InChIKeyJHASKMAMEQFYDO-UHFFFAOYSA-N
MW286.06 g/mol
LogP1.83
Rot. Bonds1

About 1-bromo-3-phenyl-3-phosphanylpyrrolidine-2,5-dione

1-bromo-3-phenyl-3-phosphanylpyrrolidine-2,5-dione (PubChem CID 140973792) has the molecular formula C10H9BrNO2P and a molecular weight of 286.06 g/mol. Its IUPAC name is 1-bromo-3-phenyl-3-phosphanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-bromo-3-phenyl-3-phosphanylpyrrolidine-2,5-dione
PubChem CID140973792
Molecular FormulaC10H9BrNO2P
Molecular Weight286.06 g/mol
Exact Mass284.96
IUPAC Name1-bromo-3-phenyl-3-phosphanylpyrrolidine-2,5-dione
SMILESO=C1CC(P)(c2ccccc2)C(=O)N1Br
InChIInChI=1S/C10H9BrNO2P/c11-12-8(13)6-10(15,9(12)14)7-4-2-1-3-5-7/h1-5H,6,15H2
InChIKeyJHASKMAMEQFYDO-UHFFFAOYSA-N
XLogP1.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.06
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-phenyl-3-phosphanylpyrrolidine-2,5-dione?
The IUPAC name of 1-bromo-3-phenyl-3-phosphanylpyrrolidine-2,5-dione (CID 140973792) is 1-bromo-3-phenyl-3-phosphanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-bromo-3-phenyl-3-phosphanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-bromo-3-phenyl-3-phosphanylpyrrolidine-2,5-dione is O=C1CC(P)(c2ccccc2)C(=O)N1Br.
What is the InChIKey of 1-bromo-3-phenyl-3-phosphanylpyrrolidine-2,5-dione?
The InChIKey is JHASKMAMEQFYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrNO2P/c11-12-8(13)6-10(15,9(12)14)7-4-2-1-3-5-7/h1-5H,6,15H2.
What are the key properties of 1-bromo-3-phenyl-3-phosphanylpyrrolidine-2,5-dione?
1-bromo-3-phenyl-3-phosphanylpyrrolidine-2,5-dione has a molecular weight of 286.06 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-phenyl-3-phosphanylpyrrolidine-2,5-dione is sourced from PubChem (CID 140973792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).