1-arsanyl-3-phenylpyrrole-2,5-dione

C10H8AsNO2 — CID 173186546

IUPAC1-arsanyl-3-phenylpyrrole-2,5-dione
SMILESO=C1C=C(c2ccccc2)C(=O)N1[AsH2]
InChIInChI=1S/C10H8AsNO2/c11-12-9(13)6-8(10(12)14)7-4-2-1-3-5-7/h1-6H,11H2
InChIKeyVDPYJOXMPVFPOU-UHFFFAOYSA-N
MW249.10 g/mol
LogP-0.01
Rot. Bonds1

About 1-arsanyl-3-phenylpyrrole-2,5-dione

1-arsanyl-3-phenylpyrrole-2,5-dione (PubChem CID 173186546) has the molecular formula C10H8AsNO2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 1-arsanyl-3-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-arsanyl-3-phenylpyrrole-2,5-dione
PubChem CID173186546
Molecular FormulaC10H8AsNO2
Molecular Weight249.10 g/mol
Exact Mass248.98
IUPAC Name1-arsanyl-3-phenylpyrrole-2,5-dione
SMILESO=C1C=C(c2ccccc2)C(=O)N1[AsH2]
InChIInChI=1S/C10H8AsNO2/c11-12-9(13)6-8(10(12)14)7-4-2-1-3-5-7/h1-6H,11H2
InChIKeyVDPYJOXMPVFPOU-UHFFFAOYSA-N
XLogP-0.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-phenylpyrrole-2,5-dione
CID 18979321
1-methylsulfanyl-3-phenylpyrrole-2,5-dione
CID 175183313
1-(4-aminophenyl)-3-phenylpyrrole-2,5-dione
CID 167439134
(2,5-dioxo-3-phenylpyrrol-1-yl) methanesulfonate
CID 54072349
2-(2,5-dioxo-3-phenylpyrrol-1-yl)acetyl chloride
CID 139626797
4-(2,5-dioxo-3-phenylpyrrol-1-yl)butylcarbamic acid
CID 18442738
7-phenylpyrrolo[1,2-a]imidazol-5-one
CID 10703030
3-phenyl-1-(piperidin-4-ylmethyl)pyrrole-2,5-dione;hydrochloride
CID 167439037
3-methyl-7-phenylpyrrolo[1,2-c]imidazol-5-one
CID 23660960
3-phenylpyrrolo[1,2-a]benzimidazol-1-one
CID 23660962
2,3,4-triphenylcyclopenta-2,4-dien-1-one
CID 12722873
1-hydroxy-4-phenyl-2H-pyrrol-5-one
CID 67770940

Frequently Asked Questions

What is the IUPAC name of 1-arsanyl-3-phenylpyrrole-2,5-dione?
The IUPAC name of 1-arsanyl-3-phenylpyrrole-2,5-dione (CID 173186546) is 1-arsanyl-3-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-arsanyl-3-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-arsanyl-3-phenylpyrrole-2,5-dione is O=C1C=C(c2ccccc2)C(=O)N1[AsH2].
What is the InChIKey of 1-arsanyl-3-phenylpyrrole-2,5-dione?
The InChIKey is VDPYJOXMPVFPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8AsNO2/c11-12-9(13)6-8(10(12)14)7-4-2-1-3-5-7/h1-6H,11H2.
What are the key properties of 1-arsanyl-3-phenylpyrrole-2,5-dione?
1-arsanyl-3-phenylpyrrole-2,5-dione has a molecular weight of 249.10 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-arsanyl-3-phenylpyrrole-2,5-dione is sourced from PubChem (CID 173186546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).