1,5,7-trimethyl-3-azabicyclo[3.3.1]nonan-2-one

C11H19NO — CID 91371342

IUPAC1,5,7-trimethyl-3-azabicyclo[3.3.1]nonan-2-one
SMILESCC1CC2(C)CNC(=O)C(C)(C1)C2
InChIInChI=1S/C11H19NO/c1-8-4-10(2)6-11(3,5-8)9(13)12-7-10/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyAHMDWSUBZOFQSV-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.95
Rot. Bonds

About 1,5,7-trimethyl-3-azabicyclo[3.3.1]nonan-2-one

1,5,7-trimethyl-3-azabicyclo[3.3.1]nonan-2-one (PubChem CID 91371342) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1,5,7-trimethyl-3-azabicyclo[3.3.1]nonan-2-one.

Molecular Properties

Compound Name1,5,7-trimethyl-3-azabicyclo[3.3.1]nonan-2-one
PubChem CID91371342
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1,5,7-trimethyl-3-azabicyclo[3.3.1]nonan-2-one
SMILESCC1CC2(C)CNC(=O)C(C)(C1)C2
InChIInChI=1S/C11H19NO/c1-8-4-10(2)6-11(3,5-8)9(13)12-7-10/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyAHMDWSUBZOFQSV-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5,7-trimethyl-3-azabicyclo[3.3.1]nonan-2-one?
The IUPAC name of 1,5,7-trimethyl-3-azabicyclo[3.3.1]nonan-2-one (CID 91371342) is 1,5,7-trimethyl-3-azabicyclo[3.3.1]nonan-2-one.
What is the SMILES notation for 1,5,7-trimethyl-3-azabicyclo[3.3.1]nonan-2-one?
The canonical SMILES for 1,5,7-trimethyl-3-azabicyclo[3.3.1]nonan-2-one is CC1CC2(C)CNC(=O)C(C)(C1)C2.
What is the InChIKey of 1,5,7-trimethyl-3-azabicyclo[3.3.1]nonan-2-one?
The InChIKey is AHMDWSUBZOFQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8-4-10(2)6-11(3,5-8)9(13)12-7-10/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 1,5,7-trimethyl-3-azabicyclo[3.3.1]nonan-2-one?
1,5,7-trimethyl-3-azabicyclo[3.3.1]nonan-2-one has a molecular weight of 181.28 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7-trimethyl-3-azabicyclo[3.3.1]nonan-2-one is sourced from PubChem (CID 91371342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).