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50607-30-2 molecular structure
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piperidine-2,4-dione

ChemBase ID: 66680
Molecular Formular: C5H7NO2
Molecular Mass: 113.11458
Monoisotopic Mass: 113.04767847
SMILES and InChIs

SMILES:
N1C(=O)CC(=O)CC1
Canonical SMILES:
O=C1CCNC(=O)C1
InChI:
InChI=1S/C5H7NO2/c7-4-1-2-6-5(8)3-4/h1-3H2,(H,6,8)
InChIKey:
RDNZDMDLRIQQAX-UHFFFAOYSA-N

Cite this record

CBID:66680 http://www.chembase.cn/molecule-66680.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
piperidine-2,4-dione
IUPAC Traditional name
piperidine-2,4-dione
Synonyms
Piperidine-2,4-dione
2,4-Piperidinedione
CAS Number
50607-30-2
MDL Number
MFCD06797467
PubChem SID
162032417
PubChem CID
10887863

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.612213  H Acceptors
H Donor LogD (pH = 5.5) -0.6464199 
LogD (pH = 7.4) -0.6466827  Log P -0.64641654 
Molar Refractivity 27.3981 cm3 Polarizability 10.563849 Å3
Polar Surface Area 46.17 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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