(6S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one

C11H20N2O — CID 15068662

IUPAC(6S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one
SMILESCN1CC2CC[C@H](N(C)C)C(C1)C2=O
InChIInChI=1S/C11H20N2O/c1-12(2)10-5-4-8-6-13(3)7-9(10)11(8)14/h8-10H,4-7H2,1-3H3/t8?,9?,10-/m0/s1
InChIKeyLORVOOICOPXGKZ-RTBKNWGFSA-N
MW196.29 g/mol
LogP0.46
Rot. Bonds1

About (6S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one

(6S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one (PubChem CID 15068662) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (6S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name(6S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one
PubChem CID15068662
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(6S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one
SMILESCN1CC2CC[C@H](N(C)C)C(C1)C2=O
InChIInChI=1S/C11H20N2O/c1-12(2)10-5-4-8-6-13(3)7-9(10)11(8)14/h8-10H,4-7H2,1-3H3/t8?,9?,10-/m0/s1
InChIKeyLORVOOICOPXGKZ-RTBKNWGFSA-N
XLogP0.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one?
The IUPAC name of (6S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one (CID 15068662) is (6S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for (6S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one?
The canonical SMILES for (6S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one is CN1CC2CC[C@H](N(C)C)C(C1)C2=O.
What is the InChIKey of (6S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one?
The InChIKey is LORVOOICOPXGKZ-RTBKNWGFSA-N. The full InChI is InChI=1S/C11H20N2O/c1-12(2)10-5-4-8-6-13(3)7-9(10)11(8)14/h8-10H,4-7H2,1-3H3/t8?,9?,10-/m0/s1.
What are the key properties of (6S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one?
(6S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one has a molecular weight of 196.29 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 15068662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).