(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one

C8H13NO — CID 5322152

IUPAC(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCN1C2CC[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?/m1/s1
InChIKeyQQXLDOJGLXJCSE-ULUSZKPHSA-N
MW139.20 g/mol
LogP0.81
Rot. Bonds

About (5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one

(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 5322152) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
PubChem CID5322152
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCN1C2CC[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?/m1/s1
InChIKeyQQXLDOJGLXJCSE-ULUSZKPHSA-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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Related Compounds

Tropinone
CID 446337
Hygrine
CID 440933
Npc164516
CID 79038
1-(1-Methylpiperidin-2-yl)propan-2-one
CID 86786
Tropiniumone
CID 698003
1-(1-Methylpyrrolidin-2-yl)acetone
CID 94157
Tropinone hydrobromide
CID 3057566
1-((2S)-1-Methyl-2-pyrrolidinyl)-2-propanone
CID 443144
8-Methyl-8-azabicyclo(3.2.1)octan-3-one--hydrogen chloride (1/1)
CID 199739
8-Ethyl-8-azabicyclo(3.2.1)octan-3-one
CID 272957
1-[(2S)-1-methylpiperidin-2-yl]propan-2-one
CID 820378
N-Methylpelletierine
CID 1548928

Frequently Asked Questions

What is the IUPAC name of (5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of (5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one (CID 5322152) is (5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one is CN1C2CC[C@@H]1CC(=O)C2.
What is the InChIKey of (5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is QQXLDOJGLXJCSE-ULUSZKPHSA-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?/m1/s1.
What are the key properties of (5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one?
(5R)-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 (5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 5322152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).