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40783-24-2 molecular structure
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1-(2,5-dimethoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

ChemBase ID: 230661
Molecular Formular: C12H11NO4
Molecular Mass: 233.22004
Monoisotopic Mass: 233.06880784
SMILES and InChIs

SMILES:
N1(c2cc(ccc2OC)OC)C(=O)C=CC1=O
Canonical SMILES:
COc1ccc(c(c1)N1C(=O)C=CC1=O)OC
InChI:
InChI=1S/C12H11NO4/c1-16-8-3-4-10(17-2)9(7-8)13-11(14)5-6-12(13)15/h3-7H,1-2H3
InChIKey:
FKTMIANXGGJMNY-UHFFFAOYSA-N

Cite this record

CBID:230661 http://www.chembase.cn/molecule-230661.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2,5-dimethoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
IUPAC Traditional name
1-(2,5-dimethoxyphenyl)pyrrole-2,5-dione
Synonyms
1-(2,5-Dimethoxy-phenyl)-pyrrole-2,5-dione
CAS Number
40783-24-2
MDL Number
MFCD00175797
PubChem SID
164286571
PubChem CID
616263

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-03985 external link Add to cart Please log in.
Data Source Data ID
PubChem 616263 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.93038845  LogD (pH = 7.4) 0.93038905 
Log P 0.93038905  Molar Refractivity 60.9521 cm3
Polarizability 23.068375 Å3 Polar Surface Area 55.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.268 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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