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2-(1-methyl-1H-pyrrole-2-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one

ChemBase ID: 450138
Molecular Formular: C17H25N3O2
Molecular Mass: 303.3993
Monoisotopic Mass: 303.19467706
SMILES and InChIs

SMILES:
C12(C(=O)N(CCC2)CCC)CN(C(=O)c2n(ccc2)C)CC1
Canonical SMILES:
CCCN1CCCC2(C1=O)CCN(C2)C(=O)c1cccn1C
InChI:
InChI=1S/C17H25N3O2/c1-3-9-19-11-5-7-17(16(19)22)8-12-20(13-17)15(21)14-6-4-10-18(14)2/h4,6,10H,3,5,7-9,11-13H2,1-2H3
InChIKey:
BBJNBXGGYQISSS-UHFFFAOYSA-N

Cite this record

CBID:450138 http://www.chembase.cn/molecule-450138.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1-methyl-1H-pyrrole-2-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
IUPAC Traditional name
2-(1-methylpyrrole-2-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
Synonyms
2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.3260382  LogD (pH = 7.4) 1.326039 
Log P 1.326039  Molar Refractivity 86.3483 cm3
Polarizability 32.65158 Å3 Polar Surface Area 45.55 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.19  LOG S -2.88 
Polar Surface Area 45.55 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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