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

C9H15NO — CID 541498

IUPAC3-methyl-3-azabicyclo[3.3.1]nonan-9-one
SMILESCN1CC2CCCC(C1)C2=O
InChIInChI=1S/C9H15NO/c1-10-5-7-3-2-4-8(6-10)9(7)11/h7-8H,2-6H2,1H3
InChIKeyPTVMGIXBAOSAGF-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.92
Rot. Bonds

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

3-methyl-3-azabicyclo[3.3.1]nonan-9-one (PubChem CID 541498) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-methyl-3-azabicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name3-methyl-3-azabicyclo[3.3.1]nonan-9-one
PubChem CID541498
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-methyl-3-azabicyclo[3.3.1]nonan-9-one
SMILESCN1CC2CCCC(C1)C2=O
InChIInChI=1S/C9H15NO/c1-10-5-7-3-2-4-8(6-10)9(7)11/h7-8H,2-6H2,1H3
InChIKeyPTVMGIXBAOSAGF-UHFFFAOYSA-N
XLogP0.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-azabicyclo[3.3.1]nonan-9-one?
The IUPAC name of 3-methyl-3-azabicyclo[3.3.1]nonan-9-one (CID 541498) is 3-methyl-3-azabicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for 3-methyl-3-azabicyclo[3.3.1]nonan-9-one?
The canonical SMILES for 3-methyl-3-azabicyclo[3.3.1]nonan-9-one is CN1CC2CCCC(C1)C2=O.
What is the InChIKey of 3-methyl-3-azabicyclo[3.3.1]nonan-9-one?
The InChIKey is PTVMGIXBAOSAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-10-5-7-3-2-4-8(6-10)9(7)11/h7-8H,2-6H2,1H3.
What are the key properties of 3-methyl-3-azabicyclo[3.3.1]nonan-9-one?
3-methyl-3-azabicyclo[3.3.1]nonan-9-one has a molecular weight of 153.22 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-azabicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 541498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).