(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one

C8H13NO — CID 6338849

IUPAC(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCN1[C@H]2CC[C@H]1CC(=O)C2
InChIInChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyQQXLDOJGLXJCSE-BQBZGAKWSA-N
MW139.20 g/mol
LogP0.81
Rot. Bonds

About (1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one

(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 6338849) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
PubChem CID6338849
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCN1[C@H]2CC[C@H]1CC(=O)C2
InChIInChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyQQXLDOJGLXJCSE-BQBZGAKWSA-N
XLogP0.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of (1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one (CID 6338849) is (1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one is CN1[C@H]2CC[C@H]1CC(=O)C2.
What is the InChIKey of (1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is QQXLDOJGLXJCSE-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of (1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one?
(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 139.20 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 6338849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).