(2,5-dioxopyrrol-1-yl)iodanuidylformic acid

C5H3INO4- — CID 144871513

IUPAC(2,5-dioxopyrrol-1-yl)iodanuidylformic acid
SMILESO=C(O)[I-]N1C(=O)C=CC1=O
InChIInChI=1S/C5H3INO4/c8-3-1-2-4(9)7(3)6-5(10)11/h1-2H,(H,10,11)/q-1
InChIKeyBPBOTTMQFQGUHI-UHFFFAOYSA-N
MW267.99 g/mol
LogP-3.41
Rot. Bonds2

About (2,5-dioxopyrrol-1-yl)iodanuidylformic acid

(2,5-dioxopyrrol-1-yl)iodanuidylformic acid (PubChem CID 144871513) has the molecular formula C5H3INO4- and a molecular weight of 267.99 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl)iodanuidylformic acid.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl)iodanuidylformic acid
PubChem CID144871513
Molecular FormulaC5H3INO4-
Molecular Weight267.99 g/mol
Exact Mass267.91
IUPAC Name(2,5-dioxopyrrol-1-yl)iodanuidylformic acid
SMILESO=C(O)[I-]N1C(=O)C=CC1=O
InChIInChI=1S/C5H3INO4/c8-3-1-2-4(9)7(3)6-5(10)11/h1-2H,(H,10,11)/q-1
InChIKeyBPBOTTMQFQGUHI-UHFFFAOYSA-N
XLogP-3.41
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.99
LogP ≤ 5-3.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', '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)iodanuidylformic acid?
The IUPAC name of (2,5-dioxopyrrol-1-yl)iodanuidylformic acid (CID 144871513) is (2,5-dioxopyrrol-1-yl)iodanuidylformic acid.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl)iodanuidylformic acid?
The canonical SMILES for (2,5-dioxopyrrol-1-yl)iodanuidylformic acid is O=C(O)[I-]N1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrol-1-yl)iodanuidylformic acid?
The InChIKey is BPBOTTMQFQGUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3INO4/c8-3-1-2-4(9)7(3)6-5(10)11/h1-2H,(H,10,11)/q-1.
What are the key properties of (2,5-dioxopyrrol-1-yl)iodanuidylformic acid?
(2,5-dioxopyrrol-1-yl)iodanuidylformic acid has a molecular weight of 267.99 g/mol, XLogP of -3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-1-yl)iodanuidylformic acid is sourced from PubChem (CID 144871513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).