(2,5-dioxopyrrol-1-yl)oxy-phenylborinic acid

C10H8BNO4 — CID 141365922

IUPAC(2,5-dioxopyrrol-1-yl)oxy-phenylborinic acid
SMILESO=C1C=CC(=O)N1OB(O)c1ccccc1
InChIInChI=1S/C10H8BNO4/c13-9-6-7-10(14)12(9)16-11(15)8-4-2-1-3-5-8/h1-7,15H
InChIKeyOKKNMUMXWBNORK-UHFFFAOYSA-N
MW216.99 g/mol
LogP-0.77
Rot. Bonds3

About (2,5-dioxopyrrol-1-yl)oxy-phenylborinic acid

(2,5-dioxopyrrol-1-yl)oxy-phenylborinic acid (PubChem CID 141365922) has the molecular formula C10H8BNO4 and a molecular weight of 216.99 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl)oxy-phenylborinic acid.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl)oxy-phenylborinic acid
PubChem CID141365922
Molecular FormulaC10H8BNO4
Molecular Weight216.99 g/mol
Exact Mass217.05
IUPAC Name(2,5-dioxopyrrol-1-yl)oxy-phenylborinic acid
SMILESO=C1C=CC(=O)N1OB(O)c1ccccc1
InChIInChI=1S/C10H8BNO4/c13-9-6-7-10(14)12(9)16-11(15)8-4-2-1-3-5-8/h1-7,15H
InChIKeyOKKNMUMXWBNORK-UHFFFAOYSA-N
XLogP-0.77
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.99
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrol-1-yl)oxy-phenylborinic acid?
The IUPAC name of (2,5-dioxopyrrol-1-yl)oxy-phenylborinic acid (CID 141365922) is (2,5-dioxopyrrol-1-yl)oxy-phenylborinic acid.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl)oxy-phenylborinic acid?
The canonical SMILES for (2,5-dioxopyrrol-1-yl)oxy-phenylborinic acid is O=C1C=CC(=O)N1OB(O)c1ccccc1.
What is the InChIKey of (2,5-dioxopyrrol-1-yl)oxy-phenylborinic acid?
The InChIKey is OKKNMUMXWBNORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BNO4/c13-9-6-7-10(14)12(9)16-11(15)8-4-2-1-3-5-8/h1-7,15H.
What are the key properties of (2,5-dioxopyrrol-1-yl)oxy-phenylborinic acid?
(2,5-dioxopyrrol-1-yl)oxy-phenylborinic acid has a molecular weight of 216.99 g/mol, XLogP of -0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-1-yl)oxy-phenylborinic acid is sourced from PubChem (CID 141365922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).