Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01874"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Tropinone"
|
| rdf:type | |
| drugbank:description |
"
532-24-1
experimental
This compound belongs to the alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.
Alkaloids and Derivatives
Organic Compounds
Alkaloids and Derivatives
Tropanes
Tropones
Piperidinones
Pyrrolidines
Ketones
Tertiary Amines
Polyamines
piperidinone
piperidine
pyrrolidine
ketone
tertiary amine
polyamine
organonitrogen compound
amine
carbonyl group
logP
0.44
ALOGPS
logS
0.59
ALOGPS
Water Solubility
5.41e+02 g/l
ALOGPS
logP
0.7
ChemAxon
IUPAC Name
(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
ChemAxon
Traditional IUPAC Name
tropinone
ChemAxon
Molecular Weight
139.1949
ChemAxon
Monoisotopic Weight
139.099714043
ChemAxon
SMILES
CN1[C@H]2CC[C@@H]1CC(=O)C2
ChemAxon
Molecular Formula
C8H13NO
ChemAxon
InChI
InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+
ChemAxon
InChIKey
InChIKey=QQXLDOJGLXJCSE-KNVOCYPGSA-N
ChemAxon
Polar Surface Area (PSA)
20.31
ChemAxon
Refractivity
39.34
ChemAxon
Polarizability
15.35
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest acidic)
18.02
ChemAxon
pKa (strongest basic)
8.88
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Melting Point
43 °C
PhysProp
Boiling Point
227 °C
PhysProp
ChEBI
16656
PubChem Compound
446337
PubChem Substance
46508221
KEGG Compound
C00783
ChemSpider
71370
PDB
TNE
Wikipedia
Tropinone
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object