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6637-45-2 molecular structure
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1-(naphthalen-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

ChemBase ID: 91535
Molecular Formular: C14H9NO2
Molecular Mass: 223.22676
Monoisotopic Mass: 223.06332853
SMILES and InChIs

SMILES:
N1(c2ccc3c(c2)cccc3)C(=O)C=CC1=O
Canonical SMILES:
O=C1C=CC(=O)N1c1ccc2c(c1)cccc2
InChI:
InChI=1S/C14H9NO2/c16-13-7-8-14(17)15(13)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H
InChIKey:
ISPTVBCAVIHHEF-UHFFFAOYSA-N

Cite this record

CBID:91535 http://www.chembase.cn/molecule-91535.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(naphthalen-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
IUPAC Traditional name
1-(naphthalen-2-yl)pyrrole-2,5-dione
Synonyms
N-(2-Naphthalenyl)maleimide
1-Naphthalen-2-yl-pyrrole-2,5-dione
CAS Number
6637-45-2
MDL Number
MFCD00443960
PubChem SID
162078234
PubChem CID
243251

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 243251 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2352076  LogD (pH = 7.4) 2.2352083 
Log P 2.2352083  Molar Refractivity 64.4759 cm3
Polarizability 25.508982 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
121 - 123°C expand Show data source
Hydrophobicity(logP)
2.323 expand Show data source
Storage Warning
Irritant 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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