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4615-71-8 molecular structure
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5-(furan-2-yl)-5-methylimidazolidine-2,4-dione

ChemBase ID: 250754
Molecular Formular: C8H8N2O3
Molecular Mass: 180.16072
Monoisotopic Mass: 180.05349213
SMILES and InChIs

SMILES:
C1(C(=O)NC(=O)N1)(c1occc1)C
Canonical SMILES:
O=C1NC(=O)C(N1)(C)c1ccco1
InChI:
InChI=1S/C8H8N2O3/c1-8(5-3-2-4-13-5)6(11)9-7(12)10-8/h2-4H,1H3,(H2,9,10,11,12)
InChIKey:
CLYDEKUAEQOFIL-UHFFFAOYSA-N

Cite this record

CBID:250754 http://www.chembase.cn/molecule-250754.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
IUPAC Traditional name
5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
Synonyms
5-(2-furyl)-5-methylimidazolidine-2,4-dione
CAS Number
4615-71-8
MDL Number
MFCD00461529
PubChem SID
164306664
PubChem CID
289051

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-15209 external link Add to cart Please log in.
Data Source Data ID
PubChem 289051 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.555543  H Acceptors
H Donor LogD (pH = 5.5) -0.020816311 
LogD (pH = 7.4) -0.023768933  Log P -0.020778533 
Molar Refractivity 42.5082 cm3 Polarizability 16.370008 Å3
Polar Surface Area 71.34 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
179 - 181°C expand Show data source
Hydrophobicity(logP)
0.222 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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