3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]pyrrolidine-2,5-dione

C17H14NO4P — CID 144607165

IUPAC3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CC(CP2(=O)Oc3ccccc3-c3ccccc32)C(=O)N1
InChIInChI=1S/C17H14NO4P/c19-16-9-11(17(20)18-16)10-23(21)15-8-4-2-6-13(15)12-5-1-3-7-14(12)22-23/h1-8,11H,9-10H2,(H,18,19,20)
InChIKeyDVWFSADDSRLDFN-UHFFFAOYSA-N
MW327.28 g/mol
LogP2.31
Rot. Bonds2

About 3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]pyrrolidine-2,5-dione

3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 144607165) has the molecular formula C17H14NO4P and a molecular weight of 327.28 g/mol. Its IUPAC name is 3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]pyrrolidine-2,5-dione
PubChem CID144607165
Molecular FormulaC17H14NO4P
Molecular Weight327.28 g/mol
Exact Mass327.07
IUPAC Name3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CC(CP2(=O)Oc3ccccc3-c3ccccc32)C(=O)N1
InChIInChI=1S/C17H14NO4P/c19-16-9-11(17(20)18-16)10-23(21)15-8-4-2-6-13(15)12-5-1-3-7-14(12)22-23/h1-8,11H,9-10H2,(H,18,19,20)
InChIKeyDVWFSADDSRLDFN-UHFFFAOYSA-N
XLogP2.31
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]pyrrolidine-2,5-dione (CID 144607165) is 3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]pyrrolidine-2,5-dione is O=C1CC(CP2(=O)Oc3ccccc3-c3ccccc32)C(=O)N1.
What is the InChIKey of 3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is DVWFSADDSRLDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14NO4P/c19-16-9-11(17(20)18-16)10-23(21)15-8-4-2-6-13(15)12-5-1-3-7-14(12)22-23/h1-8,11H,9-10H2,(H,18,19,20).
What are the key properties of 3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]pyrrolidine-2,5-dione?
3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 327.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 144607165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).