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90086-89-8 molecular structure
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2-(furan-2-yl)pyrrolidine

ChemBase ID: 75706
Molecular Formular: C8H11NO
Molecular Mass: 137.17904
Monoisotopic Mass: 137.08406398
SMILES and InChIs

SMILES:
o1c(ccc1)C1NCCC1
Canonical SMILES:
C1CNC(C1)c1ccco1
InChI:
InChI=1S/C8H11NO/c1-3-7(9-5-1)8-4-2-6-10-8/h2,4,6-7,9H,1,3,5H2
InChIKey:
LIFJPSLQRGQNMM-UHFFFAOYSA-N

Cite this record

CBID:75706 http://www.chembase.cn/molecule-75706.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(furan-2-yl)pyrrolidine
IUPAC Traditional name
2-(furan-2-yl)pyrrolidine
Synonyms
2-(2-furyl)pyrrolidine
2-(Pyrrolidin-2-yl)furan
2-(Fur-2-yl)pyrrolidine
2-(furan-2-yl)pyrrolidine
CAS Number
90086-89-8
MDL Number
MFCD02663415
PubChem SID
162040624
PubChem CID
3675988

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3675988 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.0909553  LogD (pH = 7.4) -0.88546973 
Log P 1.0574058  Molar Refractivity 38.9081 cm3
Polarizability 15.349743 Å3 Polar Surface Area 25.17 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.11 expand Show data source
Storage Warning
Corrosive expand Show data source
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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