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1076198-58-7 molecular structure
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3-(2-methylpyridine-3-carbonyl)pyrrolidin-2-one

ChemBase ID: 174207
Molecular Formular: C11H12N2O2
Molecular Mass: 204.22518
Monoisotopic Mass: 204.08987763
SMILES and InChIs

SMILES:
c1ccnc(c1C(=O)C1CCNC1=O)C
Canonical SMILES:
Cc1ncccc1C(=O)C1CCNC1=O
InChI:
InChI=1S/C11H12N2O2/c1-7-8(3-2-5-12-7)10(14)9-4-6-13-11(9)15/h2-3,5,9H,4,6H2,1H3,(H,13,15)
InChIKey:
WWGMHRWUCMKRJJ-UHFFFAOYSA-N

Cite this record

CBID:174207 http://www.chembase.cn/molecule-174207.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(2-methylpyridine-3-carbonyl)pyrrolidin-2-one
IUPAC Traditional name
3-(2-methylpyridine-3-carbonyl)pyrrolidin-2-one
Synonyms
3-[(2-Methyl-3-pyridinyl)carbonyl]-2-pyrrolidinone
2-Methyl-3-pyridoyl-2-pyrrolidinone
CAS Number
1076198-58-7
PubChem SID
164230117
PubChem CID
45039891

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC M325955 external link Add to cart
PubChem 45039891 external link
Data Source Data ID Price
TRC
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Data Source Data ID
PubChem 45039891 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.769853  H Acceptors
H Donor LogD (pH = 5.5) -0.23683234 
LogD (pH = 7.4) -0.17782347  Log P -0.17699362 
Molar Refractivity 54.8013 cm3 Polarizability 20.954758 Å3
Polar Surface Area 59.06 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Apperance
Tan Solid expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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