(2,5-dioxopyrrol-3-yl)astatine

C4H2AtNO2 — CID 139699949

IUPAC(2,5-dioxopyrrol-3-yl)astatine
SMILESO=C1C=C([At])C(=O)N1
InChIInChI=1S/C4H2AtNO2/c5-2-1-3(7)6-4(2)8/h1H,(H,6,7,8)
InChIKeyFACUVLVLQODNEG-UHFFFAOYSA-N
MW306.07 g/mol
LogP-0.92
Rot. Bonds

About (2,5-dioxopyrrol-3-yl)astatine

(2,5-dioxopyrrol-3-yl)astatine (PubChem CID 139699949) has the molecular formula C4H2AtNO2 and a molecular weight of 306.07 g/mol. Its IUPAC name is (2,5-dioxopyrrol-3-yl)astatine.

Molecular Properties

Compound Name(2,5-dioxopyrrol-3-yl)astatine
PubChem CID139699949
Molecular FormulaC4H2AtNO2
Molecular Weight306.07 g/mol
Exact Mass306.00
IUPAC Name(2,5-dioxopyrrol-3-yl)astatine
SMILESO=C1C=C([At])C(=O)N1
InChIInChI=1S/C4H2AtNO2/c5-2-1-3(7)6-4(2)8/h1H,(H,6,7,8)
InChIKeyFACUVLVLQODNEG-UHFFFAOYSA-N
XLogP-0.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.07
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrol-3-yl)astatine?
The IUPAC name of (2,5-dioxopyrrol-3-yl)astatine (CID 139699949) is (2,5-dioxopyrrol-3-yl)astatine.
What is the SMILES notation for (2,5-dioxopyrrol-3-yl)astatine?
The canonical SMILES for (2,5-dioxopyrrol-3-yl)astatine is O=C1C=C([At])C(=O)N1.
What is the InChIKey of (2,5-dioxopyrrol-3-yl)astatine?
The InChIKey is FACUVLVLQODNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2AtNO2/c5-2-1-3(7)6-4(2)8/h1H,(H,6,7,8).
What are the key properties of (2,5-dioxopyrrol-3-yl)astatine?
(2,5-dioxopyrrol-3-yl)astatine has a molecular weight of 306.07 g/mol, XLogP of -0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-3-yl)astatine is sourced from PubChem (CID 139699949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).