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1465-09-4 molecular structure
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(1R)-10-methyl-3,10-diazabicyclo[4.3.1]decan-4-one

ChemBase ID: 815659
Molecular Formular: C9H16N2O
Molecular Mass: 168.23614
Monoisotopic Mass: 168.12626314
SMILES and InChIs

SMILES:
[C@H]12N(C(CC(=O)NC1)CCC2)C
Canonical SMILES:
O=C1NC[C@@H]2N(C(C1)CCC2)C
InChI:
InChI=1S/C9H16N2O/c1-11-7-3-2-4-8(11)6-10-9(12)5-7/h7-8H,2-6H2,1H3,(H,10,12)/t7?,8-/m1/s1
InChIKey:
DHKKBHBCCBNHNA-BRFYHDHCSA-N

Cite this record

CBID:815659 http://www.chembase.cn/molecule-815659.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R)-10-methyl-3,10-diazabicyclo[4.3.1]decan-4-one
IUPAC Traditional name
(1R)-10-methyl-3,10-diazabicyclo[4.3.1]decan-4-one
Synonyms
(1R)-10-methyl-3,10-diazabicyclo[4.3.1]decan-4-one
CAS Number
1465-09-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O38027 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O38027 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.839744  H Acceptors
H Donor LogD (pH = 5.5) -2.9185557 
LogD (pH = 7.4) -1.2190691  Log P 0.12027429 
Molar Refractivity 47.0044 cm3 Polarizability 18.585028 Å3
Polar Surface Area 32.34 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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