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1228748-71-7 molecular structure
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3-aminocyclopentan-1-one

ChemBase ID: 796659
Molecular Formular: C5H9NO
Molecular Mass: 99.13106
Monoisotopic Mass: 99.06841391
SMILES and InChIs

SMILES:
C1(=O)CC(CC1)N
Canonical SMILES:
NC1CCC(=O)C1
InChI:
InChI=1S/C5H9NO/c6-4-1-2-5(7)3-4/h4H,1-3,6H2
InChIKey:
LARUMXKMTDSSSX-UHFFFAOYSA-N

Cite this record

CBID:796659 http://www.chembase.cn/molecule-796659.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-aminocyclopentan-1-one
IUPAC Traditional name
3-aminocyclopentan-1-one
Synonyms
3-Aminocyclopentanone
CAS Number
1228748-71-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O3809 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O3809 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.30184  H Acceptors
H Donor LogD (pH = 5.5) -3.308795 
LogD (pH = 7.4) -2.6812792  Log P -0.29406726 
Molar Refractivity 26.8194 cm3 Polarizability 10.811152 Å3
Polar Surface Area 43.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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