(6R)-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one

C9H15NO2 — CID 45357850

IUPAC(6R)-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCO[C@@H]1CC2CC(=O)CC1N2C
InChIInChI=1S/C9H15NO2/c1-10-6-3-7(11)5-8(10)9(4-6)12-2/h6,8-9H,3-5H2,1-2H3/t6?,8?,9-/m1/s1
InChIKeyRPHOSAHUCLDRQS-KPIFQKDSSA-N
MW169.22 g/mol
LogP0.44
Rot. Bonds1

About (6R)-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one

(6R)-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 45357850) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (6R)-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(6R)-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one
PubChem CID45357850
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(6R)-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCO[C@@H]1CC2CC(=O)CC1N2C
InChIInChI=1S/C9H15NO2/c1-10-6-3-7(11)5-8(10)9(4-6)12-2/h6,8-9H,3-5H2,1-2H3/t6?,8?,9-/m1/s1
InChIKeyRPHOSAHUCLDRQS-KPIFQKDSSA-N
XLogP0.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of (6R)-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one (CID 45357850) is (6R)-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (6R)-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (6R)-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one is CO[C@@H]1CC2CC(=O)CC1N2C.
What is the InChIKey of (6R)-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is RPHOSAHUCLDRQS-KPIFQKDSSA-N. The full InChI is InChI=1S/C9H15NO2/c1-10-6-3-7(11)5-8(10)9(4-6)12-2/h6,8-9H,3-5H2,1-2H3/t6?,8?,9-/m1/s1.
What are the key properties of (6R)-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one?
(6R)-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 169.22 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 45357850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).