9-ethyl-7-methyl-9-azabicyclo[3.3.1]nonan-3-one

C11H19NO — CID 70313358

IUPAC9-ethyl-7-methyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESCCN1C2CC(=O)CC1CC(C)C2
InChIInChI=1S/C11H19NO/c1-3-12-9-4-8(2)5-10(12)7-11(13)6-9/h8-10H,3-7H2,1-2H3
InChIKeySLGLOCPUOBAVLT-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.84
Rot. Bonds1

About 9-ethyl-7-methyl-9-azabicyclo[3.3.1]nonan-3-one

9-ethyl-7-methyl-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 70313358) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 9-ethyl-7-methyl-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-ethyl-7-methyl-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID70313358
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name9-ethyl-7-methyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESCCN1C2CC(=O)CC1CC(C)C2
InChIInChI=1S/C11H19NO/c1-3-12-9-4-8(2)5-10(12)7-11(13)6-9/h8-10H,3-7H2,1-2H3
InChIKeySLGLOCPUOBAVLT-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-7-methyl-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-ethyl-7-methyl-9-azabicyclo[3.3.1]nonan-3-one (CID 70313358) is 9-ethyl-7-methyl-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-ethyl-7-methyl-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-ethyl-7-methyl-9-azabicyclo[3.3.1]nonan-3-one is CCN1C2CC(=O)CC1CC(C)C2.
What is the InChIKey of 9-ethyl-7-methyl-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is SLGLOCPUOBAVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-12-9-4-8(2)5-10(12)7-11(13)6-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 9-ethyl-7-methyl-9-azabicyclo[3.3.1]nonan-3-one?
9-ethyl-7-methyl-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 181.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-7-methyl-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 70313358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).