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

C10H17NO — CID 10559020

IUPAC(1S,5R)-1,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESCN1[C@@H]2CCC[C@@]1(C)CC(=O)C2
InChIInChI=1S/C10H17NO/c1-10-5-3-4-8(11(10)2)6-9(12)7-10/h8H,3-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyHGDZZPIZKXEFLU-SCZZXKLOSA-N
MW167.25 g/mol
LogP1.59
Rot. Bonds

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

(1S,5R)-1,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 10559020) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (1S,5R)-1,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name(1S,5R)-1,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID10559020
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(1S,5R)-1,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESCN1[C@@H]2CCC[C@@]1(C)CC(=O)C2
InChIInChI=1S/C10H17NO/c1-10-5-3-4-8(11(10)2)6-9(12)7-10/h8H,3-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyHGDZZPIZKXEFLU-SCZZXKLOSA-N
XLogP1.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of (1S,5R)-1,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one (CID 10559020) is (1S,5R)-1,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for (1S,5R)-1,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for (1S,5R)-1,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one is CN1[C@@H]2CCC[C@@]1(C)CC(=O)C2.
What is the InChIKey of (1S,5R)-1,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is HGDZZPIZKXEFLU-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H17NO/c1-10-5-3-4-8(11(10)2)6-9(12)7-10/h8H,3-7H2,1-2H3/t8-,10+/m1/s1.
What are the key properties of (1S,5R)-1,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one?
(1S,5R)-1,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 167.25 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 10559020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).