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850352-53-3,850352-11-3(HCl) molecular structure
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1-(naphthalen-2-yl)-2-(pyrrolidin-1-yl)pentan-1-one

ChemBase ID: 128553
Molecular Formular: C19H23NO
Molecular Mass: 281.39202
Monoisotopic Mass: 281.17796436
SMILES and InChIs

SMILES:
C1CCCN1C(CCC)C(=O)c1cc2ccccc2cc1
Canonical SMILES:
CCCC(C(=O)c1ccc2c(c1)cccc2)N1CCCC1
InChI:
InChI=1S/C19H23NO/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17/h3-4,8-11,14,18H,2,5-7,12-13H2,1H3
InChIKey:
DTNUPBSOODGRKW-UHFFFAOYSA-N

Cite this record

CBID:128553 http://www.chembase.cn/molecule-128553.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(naphthalen-2-yl)-2-(pyrrolidin-1-yl)pentan-1-one
IUPAC Traditional name
naphyrone
Synonyms
Naphyrone
O-2482
naphthylpyrovalerone
NRG-1
Naphyrone (O-2482)
CAS Number
850352-53-3,850352-11-3(HCl)
850352-53-3
PubChem SID
162222860
PubChem CID
11243002
Chemspider ID
9418039
Wikipedia Title
Naphyrone

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Selleck Chemicals
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.830462  H Acceptors
H Donor LogD (pH = 5.5) 1.9035695 
LogD (pH = 7.4) 3.6656508  Log P 4.3535213 
Molar Refractivity 87.4999 cm3 Polarizability 35.368195 Å3
Polar Surface Area 20.31 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Target
Others expand Show data source
Legal Status
Class B (UK), I-P(Poland) expand Show data source
Salt Data
Free Base expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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