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162214500 molecular structure
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8a-methyl-octahydropyrrolo[1,2-a]pyrimidin-6-one

ChemBase ID: 120147
Molecular Formular: C8H14N2O
Molecular Mass: 154.20956
Monoisotopic Mass: 154.11061308
SMILES and InChIs

SMILES:
N12C(NCCC2)(CCC1=O)C
Canonical SMILES:
O=C1CCC2(N1CCCN2)C
InChI:
InChI=1S/C8H14N2O/c1-8-4-3-7(11)10(8)6-2-5-9-8/h9H,2-6H2,1H3
InChIKey:
OEGYKKRPXVDQFK-UHFFFAOYSA-N

Cite this record

CBID:120147 http://www.chembase.cn/molecule-120147.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8a-methyl-octahydropyrrolo[1,2-a]pyrimidin-6-one
IUPAC Traditional name
8a-methyl-hexahydropyrrolo[1,2-a]pyrimidin-6-one
Synonyms
8a-methylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one
PubChem SID
162214500
PubChem CID
3161164

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3161164 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.6847765  LogD (pH = 7.4) -0.9872066 
Log P -0.48666254  Molar Refractivity 42.6452 cm3
Polarizability 16.74643 Å3 Polar Surface Area 32.34 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Classification
Derivatives & analogs of Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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