(1S,5R)-1,4,4-trimethyl-9-azabicyclo[3.3.1]nonan-3-one

C11H19NO — CID 71568771

IUPAC(1S,5R)-1,4,4-trimethyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC1(C)C(=O)C[C@]2(C)CCC[C@H]1N2
InChIInChI=1S/C11H19NO/c1-10(2)8-5-4-6-11(3,12-8)7-9(10)13/h8,12H,4-7H2,1-3H3/t8-,11+/m1/s1
InChIKeyMTTCTOIJWUFQDH-KCJUWKMLSA-N
MW181.28 g/mol
LogP1.89
Rot. Bonds

About (1S,5R)-1,4,4-trimethyl-9-azabicyclo[3.3.1]nonan-3-one

(1S,5R)-1,4,4-trimethyl-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 71568771) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (1S,5R)-1,4,4-trimethyl-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name(1S,5R)-1,4,4-trimethyl-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID71568771
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(1S,5R)-1,4,4-trimethyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC1(C)C(=O)C[C@]2(C)CCC[C@H]1N2
InChIInChI=1S/C11H19NO/c1-10(2)8-5-4-6-11(3,12-8)7-9(10)13/h8,12H,4-7H2,1-3H3/t8-,11+/m1/s1
InChIKeyMTTCTOIJWUFQDH-KCJUWKMLSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1,4,4-trimethyl-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of (1S,5R)-1,4,4-trimethyl-9-azabicyclo[3.3.1]nonan-3-one (CID 71568771) is (1S,5R)-1,4,4-trimethyl-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for (1S,5R)-1,4,4-trimethyl-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for (1S,5R)-1,4,4-trimethyl-9-azabicyclo[3.3.1]nonan-3-one is CC1(C)C(=O)C[C@]2(C)CCC[C@H]1N2.
What is the InChIKey of (1S,5R)-1,4,4-trimethyl-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is MTTCTOIJWUFQDH-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2)8-5-4-6-11(3,12-8)7-9(10)13/h8,12H,4-7H2,1-3H3/t8-,11+/m1/s1.
What are the key properties of (1S,5R)-1,4,4-trimethyl-9-azabicyclo[3.3.1]nonan-3-one?
(1S,5R)-1,4,4-trimethyl-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 181.28 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1,4,4-trimethyl-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 71568771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).