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271579-94-3 molecular structure
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4-cyclobutylpyrrolidin-2-one

ChemBase ID: 293124
Molecular Formular: C8H13NO
Molecular Mass: 139.19492
Monoisotopic Mass: 139.09971404
SMILES and InChIs

SMILES:
O=C1NCC(C2CCC2)C1
Canonical SMILES:
O=C1NCC(C1)C1CCC1
InChI:
InChI=1S/C8H13NO/c10-8-4-7(5-9-8)6-2-1-3-6/h6-7H,1-5H2,(H,9,10)
InChIKey:
CVRJEQBETQXNIG-UHFFFAOYSA-N

Cite this record

CBID:293124 http://www.chembase.cn/molecule-293124.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-cyclobutylpyrrolidin-2-one
IUPAC Traditional name
4-cyclobutylpyrrolidin-2-one
Synonyms
4-Cyclobutylpyrrolidin-2-one
CAS Number
271579-94-3
MDL Number
MFCD19226659
PubChem SID
180678655
PubChem CID
22990583

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD245273 Please log in.
Data Source Data ID
PubChem 22990583 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.863491  H Acceptors
H Donor LogD (pH = 5.5) 0.497794 
LogD (pH = 7.4) 0.49779403  Log P 0.49779406 
Molar Refractivity 38.6779 cm3 Polarizability 15.217685 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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