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162214499 molecular structure
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7a-methyl-hexahydro-1H-pyrrolo[1,2-a]imidazolidin-5-one

ChemBase ID: 120146
Molecular Formular: C7H12N2O
Molecular Mass: 140.18298
Monoisotopic Mass: 140.09496301
SMILES and InChIs

SMILES:
N12C(NCC2)(CCC1=O)C
Canonical SMILES:
O=C1CCC2(N1CCN2)C
InChI:
InChI=1S/C7H12N2O/c1-7-3-2-6(10)9(7)5-4-8-7/h8H,2-5H2,1H3
InChIKey:
MMWGHXITWAALJO-UHFFFAOYSA-N

Cite this record

CBID:120146 http://www.chembase.cn/molecule-120146.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7a-methyl-hexahydro-1H-pyrrolo[1,2-a]imidazolidin-5-one
IUPAC Traditional name
7a-methyl-tetrahydro-1H-pyrrolo[1,2-a]imidazolidin-5-one
Synonyms
7a-methyltetrahydro-1H-pyrrolo[1,2-a]imidazol-5(6H)-one
PubChem SID
162214499
PubChem CID
3159946

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3159946 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.0905313  LogD (pH = 7.4) -1.3576876 
Log P -0.5466223  Molar Refractivity 37.7798 cm3
Polarizability 14.909609 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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