CAS 25602-68-0|Nortropinone hydrochloride|8-Azabicyclo[3.2.1]octan-3-one hydrochloride|8-azabicyclo[3.2.1]octan-3-one hydrochloride|8-azabicyclo[3.2.1]octan-3-one hydrochloride|8-Aza-3-oxobicyclo[3....

General Information

Structure

Molecular Formula

C₇H₁₂ClNO

Molecular Mass

161.62928

Exact Mass

161.06074169

Charge

InChI

InChI=1S/C7H11NO.ClH/c9-7-3-5-1-2-6(4-7)8-5;/h5-6,8H,1-4H2;1H

InChIKey

MZQWQFWRSDNBPV-UHFFFAOYSA-N

Canonic Smiles

O=C1CC2CCC(C1)N2.Cl

Isomeric Smiles

N1C2CC(=O)CC1CC2.Cl

Calculated Properties

JChem

Acid pKa

18.096632

H Acceptors

H Donor

LogD (pH = 5.5)

-2.9155667

LogD (pH = 7.4)

-2.4433835

Log P

0.31541646

Molar Refractivity

34.0502

Polarizability

13.764601

Polar Surface Area

29.1

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

Nortropinone hydrochloride8-Azabicyclo[3.2.1]octan-3-one hydrochloride8-Aza-3-oxobicyclo[3.2.1]octane hydrochloride8-Azabicyclo[3,2,1]octan-3-one Hydrochloride3-Nortropanone HydrochlorideNortropanone HydrochlorideDesmethyltropinone HydrochlorideNortropinone Hydrochloride

IUPAC Traditional name

8-azabicyclo[3.2.1]octan-3-one hydrochloride

IUPAC name

8-azabicyclo[3.2.1]octan-3-one hydrochloride

Names and Identifiers

Registration numbers

CAS Number

25602-68-0

MDL Number

MFCD03613582

PubChem CID

13091218