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1203797-13-0 molecular structure
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7-methyl-2,7-diazaspiro[4.5]decan-6-one

ChemBase ID: 309216
Molecular Formular: C9H16N2O
Molecular Mass: 168.23614
Monoisotopic Mass: 168.12626314
SMILES and InChIs

SMILES:
C1(=O)C2(CNCC2)CCCN1C
Canonical SMILES:
CN1CCCC2(C1=O)CNCC2
InChI:
InChI=1S/C9H16N2O/c1-11-6-2-3-9(8(11)12)4-5-10-7-9/h10H,2-7H2,1H3
InChIKey:
GDSSVYWSZYKWQL-UHFFFAOYSA-N

Cite this record

CBID:309216 http://www.chembase.cn/molecule-309216.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methyl-2,7-diazaspiro[4.5]decan-6-one
IUPAC Traditional name
7-methyl-2,7-diazaspiro[4.5]decan-6-one
Synonyms
7-methyl-2,7-diazaspiro[4.5]decan-6-one
CAS Number
1203797-13-0
MDL Number
MFCD16249894

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4038667 external link Add to cart 67772563 external link Add to cart
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -3.4778066  LogD (pH = 7.4) -3.192195 
Log P -0.24096943  Molar Refractivity 47.3063 cm3
Polarizability 18.585028 Å3 Polar Surface Area 32.34 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.0  LOG S -1.74 
Polar Surface Area 32.34 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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