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65833-01-4 molecular structure
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1-(4-iodophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

ChemBase ID: 44205
Molecular Formular: C10H6INO2
Molecular Mass: 299.06461
Monoisotopic Mass: 298.94432644
SMILES and InChIs

SMILES:
N1(C(=O)C=CC1=O)c1ccc(cc1)I
Canonical SMILES:
O=C1C=CC(=O)N1c1ccc(cc1)I
InChI:
InChI=1S/C10H6INO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H
InChIKey:
GIXQASIEVHMYQH-UHFFFAOYSA-N

Cite this record

CBID:44205 http://www.chembase.cn/molecule-44205.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-iodophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
IUPAC Traditional name
1-(4-iodophenyl)pyrrole-2,5-dione
Synonyms
1-(4-Iodophenyl)-1H-pyrrole-2,5-dione
1-(4-iodophenyl)-1H-pyrrole-2,5-dione
N-(4-Iodophenyl)maleimide
N-4-IODOPHENYL MALEIMIDE
CAS Number
65833-01-4
MDL Number
MFCD00022575
PubChem SID
162048968
PubChem CID
96758

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1746752  LogD (pH = 7.4) 2.174676 
Log P 2.1746762  Molar Refractivity 61.3882 cm3
Polarizability 23.232042 Å3 Polar Surface Area 37.38 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
142°C expand Show data source
160 °C expand Show data source
160°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05221094 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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