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1210719-18-8 molecular structure
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3',4'-dihydro-2'H-spiro[cyclopentane-1,1'-pyrrolo[1,2-a]pyrazine]

ChemBase ID: 309020
Molecular Formular: C11H16N2
Molecular Mass: 176.25814
Monoisotopic Mass: 176.13134852
SMILES and InChIs

SMILES:
c12n(ccc2)CCNC21CCCC2
Canonical SMILES:
C1CCC2(C1)NCCn1c2ccc1
InChI:
InChI=1S/C11H16N2/c1-2-6-11(5-1)10-4-3-8-13(10)9-7-12-11/h3-4,8,12H,1-2,5-7,9H2
InChIKey:
GVGZDJBTVHBYHL-UHFFFAOYSA-N

Cite this record

CBID:309020 http://www.chembase.cn/molecule-309020.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3',4'-dihydro-2'H-spiro[cyclopentane-1,1'-pyrrolo[1,2-a]pyrazine]
IUPAC Traditional name
3',4'-dihydro-2'H-spiro[cyclopentane-1,1'-pyrrolo[1,2-a]pyrazine]
Synonyms
3',4'-dihydro-2'H-spiro[cyclopentane-1,1'-pyrrolo[1,2-a]pyrazine]
CAS Number
1210719-18-8
MDL Number
MFCD11868482

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0280813  LogD (pH = 7.4) 0.5972645 
Log P 1.8621016  Molar Refractivity 53.1728 cm3
Polarizability 20.922562 Å3 Polar Surface Area 16.96 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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