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763908-64-1 molecular structure
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1-[2-(piperidin-4-yl)ethyl]pyrrolidin-2-one

ChemBase ID: 24820
Molecular Formular: C11H20N2O
Molecular Mass: 196.2893
Monoisotopic Mass: 196.15756327
SMILES and InChIs

SMILES:
N1(C(=O)CCC1)CCC1CCNCC1
Canonical SMILES:
O=C1CCCN1CCC1CCNCC1
InChI:
InChI=1S/C11H20N2O/c14-11-2-1-8-13(11)9-5-10-3-6-12-7-4-10/h10,12H,1-9H2
InChIKey:
VXEDMQRKJUGYBQ-UHFFFAOYSA-N

Cite this record

CBID:24820 http://www.chembase.cn/molecule-24820.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[2-(piperidin-4-yl)ethyl]pyrrolidin-2-one
IUPAC Traditional name
1-[2-(piperidin-4-yl)ethyl]pyrrolidin-2-one
Synonyms
1-(2-Piperidin-4-ylethyl)pyrrolidin-2-one
CAS Number
763908-64-1
MDL Number
MFCD06408739
PubChem SID
160988127
PubChem CID
4712456

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4712456 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.1165464  LogD (pH = 7.4) -2.6601887 
Log P 0.11504064  Molar Refractivity 56.807 cm3
Polarizability 22.265976 Å3 Polar Surface Area 32.34 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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