Home > Compound List > Compound details
64059-57-0 molecular structure
click picture or here to close

1-(3,4-dimethylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

ChemBase ID: 61272
Molecular Formular: C12H11NO2
Molecular Mass: 201.22124
Monoisotopic Mass: 201.0789786
SMILES and InChIs

SMILES:
N1(c2cc(c(cc2)C)C)C(=O)C=CC1=O
Canonical SMILES:
O=C1C=CC(=O)N1c1ccc(c(c1)C)C
InChI:
InChI=1S/C12H11NO2/c1-8-3-4-10(7-9(8)2)13-11(14)5-6-12(13)15/h3-7H,1-2H3
InChIKey:
QIFBMDXYCWMHJW-UHFFFAOYSA-N

Cite this record

CBID:61272 http://www.chembase.cn/molecule-61272.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3,4-dimethylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
IUPAC Traditional name
1-(3,4-dimethylphenyl)pyrrole-2,5-dione
Synonyms
N-(3,4-Dimethylphenyl)maleimide
1-(3,4-Dimethylphenyl)-1H-pyrrole-2,5-dione
CAS Number
64059-57-0
MDL Number
MFCD00022573
PubChem SID
162027013
PubChem CID
608506

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 608506 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2725735  LogD (pH = 7.4) 2.2725744 
Log P 2.2725744  Molar Refractivity 58.1081 cm3
Polarizability 21.514683 Å3 Polar Surface Area 37.38 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle