methylarsonic acid;2-phenylisoindole-1,3-dione

C15H14AsNO5 — CID 162087395

IUPACmethylarsonic acid;2-phenylisoindole-1,3-dione
SMILESC[As](=O)(O)O.O=C1c2ccccc2C(=O)N1c1ccccc1
InChIInChI=1S/C14H9NO2.CH5AsO3/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10;1-2(3,4)5/h1-9H;1H3,(H2,3,4,5)
InChIKeyZDDNWZOZJQAQFT-UHFFFAOYSA-N
MW363.20 g/mol
LogP1.46
Rot. Bonds1

About methylarsonic acid;2-phenylisoindole-1,3-dione

methylarsonic acid;2-phenylisoindole-1,3-dione (PubChem CID 162087395) has the molecular formula C15H14AsNO5 and a molecular weight of 363.20 g/mol. Its IUPAC name is methylarsonic acid;2-phenylisoindole-1,3-dione.

Molecular Properties

Compound Namemethylarsonic acid;2-phenylisoindole-1,3-dione
PubChem CID162087395
Molecular FormulaC15H14AsNO5
Molecular Weight363.20 g/mol
Exact Mass363.01
IUPAC Namemethylarsonic acid;2-phenylisoindole-1,3-dione
SMILESC[As](=O)(O)O.O=C1c2ccccc2C(=O)N1c1ccccc1
InChIInChI=1S/C14H9NO2.CH5AsO3/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10;1-2(3,4)5/h1-9H;1H3,(H2,3,4,5)
InChIKeyZDDNWZOZJQAQFT-UHFFFAOYSA-N
XLogP1.46
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
methanamine;2-phenylisoindole-1,3-dione;propane
CID 171823860
5,6-diacetyl-2-phenylisoindole-1,3-dione;ethane
CID 143934002
4-methyl-2-phenylisoindole-1,3-dione
CID 12746962
2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]isoindole-1,3-dione
CID 168518349
2-[4-(trihydroxy-λ4-sulfanyl)phenyl]isoindole-1,3-dione
CID 20755596
2-(4-phenoxyphenyl)isoindole-1,3-dione
CID 765459
2-[3-[[3-(1,3-dioxoisoindol-2-yl)phenyl]disulfanyl]phenyl]isoindole-1,3-dione
CID 91745874
2-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylpropanoic acid
CID 58721880
N,N-dimethylformamide;4-(1,3-dioxoisoindol-2-yl)benzoic acid
CID 139070471
methyl 1,3-dioxo-2-phenylisoindole-5-carboxylate
CID 823415
(2R)-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]butanoic acid
CID 92953781

Frequently Asked Questions

What is the IUPAC name of methylarsonic acid;2-phenylisoindole-1,3-dione?
The IUPAC name of methylarsonic acid;2-phenylisoindole-1,3-dione (CID 162087395) is methylarsonic acid;2-phenylisoindole-1,3-dione.
What is the SMILES notation for methylarsonic acid;2-phenylisoindole-1,3-dione?
The canonical SMILES for methylarsonic acid;2-phenylisoindole-1,3-dione is C[As](=O)(O)O.O=C1c2ccccc2C(=O)N1c1ccccc1.
What is the InChIKey of methylarsonic acid;2-phenylisoindole-1,3-dione?
The InChIKey is ZDDNWZOZJQAQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2.CH5AsO3/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10;1-2(3,4)5/h1-9H;1H3,(H2,3,4,5).
What are the key properties of methylarsonic acid;2-phenylisoindole-1,3-dione?
methylarsonic acid;2-phenylisoindole-1,3-dione has a molecular weight of 363.20 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylarsonic acid;2-phenylisoindole-1,3-dione is sourced from PubChem (CID 162087395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).