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1114823-56-1 molecular structure
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4-amino-1-(4-methylphenyl)pyrrolidin-2-one

ChemBase ID: 307313
Molecular Formular: C11H14N2O
Molecular Mass: 190.24166
Monoisotopic Mass: 190.11061308
SMILES and InChIs

SMILES:
N1(C(=O)CC(C1)N)c1ccc(cc1)C
Canonical SMILES:
NC1CN(C(=O)C1)c1ccc(cc1)C
InChI:
InChI=1S/C11H14N2O/c1-8-2-4-10(5-3-8)13-7-9(12)6-11(13)14/h2-5,9H,6-7,12H2,1H3
InChIKey:
WJFDJEKZICKYTJ-UHFFFAOYSA-N

Cite this record

CBID:307313 http://www.chembase.cn/molecule-307313.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-1-(4-methylphenyl)pyrrolidin-2-one
IUPAC Traditional name
4-amino-1-(4-methylphenyl)pyrrolidin-2-one
Synonyms
4-amino-1-(4-methylphenyl)-2-pyrrolidinone
CAS Number
1114823-56-1
MDL Number
MFCD12190655

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.1314206  LogD (pH = 7.4) -0.8650011 
Log P 0.78956866  Molar Refractivity 54.8384 cm3
Polarizability 21.45125 Å3 Polar Surface Area 46.33 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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