(5S)-1-methyl-9-azabicyclo[3.3.1]nonan-3-one

C9H15NO — CID 134942409

IUPAC(5S)-1-methyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC12CCC[C@@H](CC(=O)C1)N2
InChIInChI=1S/C9H15NO/c1-9-4-2-3-7(10-9)5-8(11)6-9/h7,10H,2-6H2,1H3/t7-,9?/m0/s1
InChIKeyBWXDELRNNYLLKB-JAVCKPHESA-N
MW153.23 g/mol
LogP1.25
Rot. Bonds

About (5S)-1-methyl-9-azabicyclo[3.3.1]nonan-3-one

(5S)-1-methyl-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 134942409) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is (5S)-1-methyl-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name(5S)-1-methyl-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID134942409
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name(5S)-1-methyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC12CCC[C@@H](CC(=O)C1)N2
InChIInChI=1S/C9H15NO/c1-9-4-2-3-7(10-9)5-8(11)6-9/h7,10H,2-6H2,1H3/t7-,9?/m0/s1
InChIKeyBWXDELRNNYLLKB-JAVCKPHESA-N
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-methyl-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of (5S)-1-methyl-9-azabicyclo[3.3.1]nonan-3-one (CID 134942409) is (5S)-1-methyl-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for (5S)-1-methyl-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for (5S)-1-methyl-9-azabicyclo[3.3.1]nonan-3-one is CC12CCC[C@@H](CC(=O)C1)N2.
What is the InChIKey of (5S)-1-methyl-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is BWXDELRNNYLLKB-JAVCKPHESA-N. The full InChI is InChI=1S/C9H15NO/c1-9-4-2-3-7(10-9)5-8(11)6-9/h7,10H,2-6H2,1H3/t7-,9?/m0/s1.
What are the key properties of (5S)-1-methyl-9-azabicyclo[3.3.1]nonan-3-one?
(5S)-1-methyl-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 153.23 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-methyl-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 134942409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).