7-methyl-3-azabicyclo[3.3.1]nonan-6-one

C9H15NO — CID 143710986

IUPAC7-methyl-3-azabicyclo[3.3.1]nonan-6-one
SMILESCC1CC2CNCC(C2)C1=O
InChIInChI=1S/C9H15NO/c1-6-2-7-3-8(9(6)11)5-10-4-7/h6-8,10H,2-5H2,1H3
InChIKeyBWDIFRXIJALAAT-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.82
Rot. Bonds

About 7-methyl-3-azabicyclo[3.3.1]nonan-6-one

7-methyl-3-azabicyclo[3.3.1]nonan-6-one (PubChem CID 143710986) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 7-methyl-3-azabicyclo[3.3.1]nonan-6-one.

Molecular Properties

Compound Name7-methyl-3-azabicyclo[3.3.1]nonan-6-one
PubChem CID143710986
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name7-methyl-3-azabicyclo[3.3.1]nonan-6-one
SMILESCC1CC2CNCC(C2)C1=O
InChIInChI=1S/C9H15NO/c1-6-2-7-3-8(9(6)11)5-10-4-7/h6-8,10H,2-5H2,1H3
InChIKeyBWDIFRXIJALAAT-UHFFFAOYSA-N
XLogP0.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-azabicyclo[3.3.1]nonan-6-one?
The IUPAC name of 7-methyl-3-azabicyclo[3.3.1]nonan-6-one (CID 143710986) is 7-methyl-3-azabicyclo[3.3.1]nonan-6-one.
What is the SMILES notation for 7-methyl-3-azabicyclo[3.3.1]nonan-6-one?
The canonical SMILES for 7-methyl-3-azabicyclo[3.3.1]nonan-6-one is CC1CC2CNCC(C2)C1=O.
What is the InChIKey of 7-methyl-3-azabicyclo[3.3.1]nonan-6-one?
The InChIKey is BWDIFRXIJALAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6-2-7-3-8(9(6)11)5-10-4-7/h6-8,10H,2-5H2,1H3.
What are the key properties of 7-methyl-3-azabicyclo[3.3.1]nonan-6-one?
7-methyl-3-azabicyclo[3.3.1]nonan-6-one has a molecular weight of 153.22 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-azabicyclo[3.3.1]nonan-6-one is sourced from PubChem (CID 143710986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).