(4R,6S)-6-methyl-1-azabicyclo[2.2.2]octan-3-one;hydrochloride

C8H14ClNO — CID 14869404

IUPAC(4R,6S)-6-methyl-1-azabicyclo[2.2.2]octan-3-one;hydrochloride
SMILESC[C@H]1C[C@H]2CCN1CC2=O.Cl
InChIInChI=1S/C8H13NO.ClH/c1-6-4-7-2-3-9(6)5-8(7)10;/h6-7H,2-5H2,1H3;1H/t6-,7+;/m0./s1
InChIKeyFSNOGFNJUKRZJE-UOERWJHTSA-N
MW175.66 g/mol
LogP1.09
Rot. Bonds

About (4R,6S)-6-methyl-1-azabicyclo[2.2.2]octan-3-one;hydrochloride

(4R,6S)-6-methyl-1-azabicyclo[2.2.2]octan-3-one;hydrochloride (PubChem CID 14869404) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is (4R,6S)-6-methyl-1-azabicyclo[2.2.2]octan-3-one;hydrochloride.

Molecular Properties

Compound Name(4R,6S)-6-methyl-1-azabicyclo[2.2.2]octan-3-one;hydrochloride
PubChem CID14869404
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name(4R,6S)-6-methyl-1-azabicyclo[2.2.2]octan-3-one;hydrochloride
SMILESC[C@H]1C[C@H]2CCN1CC2=O.Cl
InChIInChI=1S/C8H13NO.ClH/c1-6-4-7-2-3-9(6)5-8(7)10;/h6-7H,2-5H2,1H3;1H/t6-,7+;/m0./s1
InChIKeyFSNOGFNJUKRZJE-UOERWJHTSA-N
XLogP1.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-6-methyl-1-azabicyclo[2.2.2]octan-3-one;hydrochloride?
The IUPAC name of (4R,6S)-6-methyl-1-azabicyclo[2.2.2]octan-3-one;hydrochloride (CID 14869404) is (4R,6S)-6-methyl-1-azabicyclo[2.2.2]octan-3-one;hydrochloride.
What is the SMILES notation for (4R,6S)-6-methyl-1-azabicyclo[2.2.2]octan-3-one;hydrochloride?
The canonical SMILES for (4R,6S)-6-methyl-1-azabicyclo[2.2.2]octan-3-one;hydrochloride is C[C@H]1C[C@H]2CCN1CC2=O.Cl.
What is the InChIKey of (4R,6S)-6-methyl-1-azabicyclo[2.2.2]octan-3-one;hydrochloride?
The InChIKey is FSNOGFNJUKRZJE-UOERWJHTSA-N. The full InChI is InChI=1S/C8H13NO.ClH/c1-6-4-7-2-3-9(6)5-8(7)10;/h6-7H,2-5H2,1H3;1H/t6-,7+;/m0./s1.
What are the key properties of (4R,6S)-6-methyl-1-azabicyclo[2.2.2]octan-3-one;hydrochloride?
(4R,6S)-6-methyl-1-azabicyclo[2.2.2]octan-3-one;hydrochloride has a molecular weight of 175.66 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-6-methyl-1-azabicyclo[2.2.2]octan-3-one;hydrochloride is sourced from PubChem (CID 14869404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).