1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one

C11H19NO — CID 71364829

IUPAC1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC1CC2(C)CC(=O)CC(C)(C1)N2
InChIInChI=1S/C11H19NO/c1-8-4-10(2)6-9(13)7-11(3,5-8)12-10/h8,12H,4-7H2,1-3H3
InChIKeyLLJIVCREEWBHLQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.89
Rot. Bonds

About 1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one

1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 71364829) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID71364829
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC1CC2(C)CC(=O)CC(C)(C1)N2
InChIInChI=1S/C11H19NO/c1-8-4-10(2)6-9(13)7-11(3,5-8)12-10/h8,12H,4-7H2,1-3H3
InChIKeyLLJIVCREEWBHLQ-UHFFFAOYSA-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

Analyze 1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one (CID 71364829) is 1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one is CC1CC2(C)CC(=O)CC(C)(C1)N2.
What is the InChIKey of 1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is LLJIVCREEWBHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8-4-10(2)6-9(13)7-11(3,5-8)12-10/h8,12H,4-7H2,1-3H3.
What are the key properties of 1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one?
1,5,7-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 1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 71364829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).