1-oxo-1-phenyl-1λ5-phospholane-2,3-dione

C10H9O3P — CID 66641409

IUPAC1-oxo-1-phenyl-1λ5-phospholane-2,3-dione
SMILESO=C1CCP(=O)(c2ccccc2)C1=O
InChIInChI=1S/C10H9O3P/c11-9-6-7-14(13,10(9)12)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyHSKTYFQWNLNPES-UHFFFAOYSA-N
MW208.15 g/mol
LogP1.17
Rot. Bonds1

About 1-oxo-1-phenyl-1λ5-phospholane-2,3-dione

1-oxo-1-phenyl-1λ5-phospholane-2,3-dione (PubChem CID 66641409) has the molecular formula C10H9O3P and a molecular weight of 208.15 g/mol. Its IUPAC name is 1-oxo-1-phenyl-1λ5-phospholane-2,3-dione.

Molecular Properties

Compound Name1-oxo-1-phenyl-1λ5-phospholane-2,3-dione
PubChem CID66641409
Molecular FormulaC10H9O3P
Molecular Weight208.15 g/mol
Exact Mass208.03
IUPAC Name1-oxo-1-phenyl-1λ5-phospholane-2,3-dione
SMILESO=C1CCP(=O)(c2ccccc2)C1=O
InChIInChI=1S/C10H9O3P/c11-9-6-7-14(13,10(9)12)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyHSKTYFQWNLNPES-UHFFFAOYSA-N
XLogP1.17
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-1-phenyl-1λ5-phospholane-2,3-dione?
The IUPAC name of 1-oxo-1-phenyl-1λ5-phospholane-2,3-dione (CID 66641409) is 1-oxo-1-phenyl-1λ5-phospholane-2,3-dione.
What is the SMILES notation for 1-oxo-1-phenyl-1λ5-phospholane-2,3-dione?
The canonical SMILES for 1-oxo-1-phenyl-1λ5-phospholane-2,3-dione is O=C1CCP(=O)(c2ccccc2)C1=O.
What is the InChIKey of 1-oxo-1-phenyl-1λ5-phospholane-2,3-dione?
The InChIKey is HSKTYFQWNLNPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9O3P/c11-9-6-7-14(13,10(9)12)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 1-oxo-1-phenyl-1λ5-phospholane-2,3-dione?
1-oxo-1-phenyl-1λ5-phospholane-2,3-dione has a molecular weight of 208.15 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-1-phenyl-1λ5-phospholane-2,3-dione is sourced from PubChem (CID 66641409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).