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32635-39-5 molecular structure
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(1R,2R)-2-(pyrrolidin-1-yl)cyclopentan-1-ol

ChemBase ID: 57408
Molecular Formular: C9H17NO
Molecular Mass: 155.23738
Monoisotopic Mass: 155.13101417
SMILES and InChIs

SMILES:
N1([C@H]2[C@H](O)CCC2)CCCC1
Canonical SMILES:
O[C@@H]1CCC[C@H]1N1CCCC1
InChI:
InChI=1S/C9H17NO/c11-9-5-3-4-8(9)10-6-1-2-7-10/h8-9,11H,1-7H2/t8-,9-/m1/s1
InChIKey:
YUKHVOQROHUFMM-RKDXNWHRSA-N

Cite this record

CBID:57408 http://www.chembase.cn/molecule-57408.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R,2R)-2-(pyrrolidin-1-yl)cyclopentan-1-ol
IUPAC Traditional name
(1R,2R)-2-(pyrrolidin-1-yl)cyclopentan-1-ol
Synonyms
rac-(1R,2R)-2-pyrrolidin-1-ylcyclopentanol
trans-2-Pyrrolidin-1-ylcyclopentanol
CAS Number
32635-39-5
MDL Number
MFCD11520520
PubChem SID
162062171
PubChem CID
12648830

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12648830 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.596994  H Acceptors
H Donor LogD (pH = 5.5) -2.6023743 
LogD (pH = 7.4) -1.8962077  Log P 0.8757652 
Molar Refractivity 45.3038 cm3 Polarizability 17.993933 Å3
Polar Surface Area 23.47 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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