(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one

C9H15NO — CID 134858420

IUPAC(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one
SMILESCN1CC[C@@H]2CC(=O)C[C@H]1C2
InChIInChI=1S/C9H15NO/c1-10-3-2-7-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyHZHGTLNQALSJEG-JGVFFNPUSA-N
MW153.23 g/mol
LogP1.06
Rot. Bonds

About (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one

(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one (PubChem CID 134858420) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one.

Molecular Properties

Compound Name(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one
PubChem CID134858420
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one
SMILESCN1CC[C@@H]2CC(=O)C[C@H]1C2
InChIInChI=1S/C9H15NO/c1-10-3-2-7-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyHZHGTLNQALSJEG-JGVFFNPUSA-N
XLogP1.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one?
The IUPAC name of (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one (CID 134858420) is (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one.
What is the SMILES notation for (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one?
The canonical SMILES for (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one is CN1CC[C@@H]2CC(=O)C[C@H]1C2.
What is the InChIKey of (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one?
The InChIKey is HZHGTLNQALSJEG-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H15NO/c1-10-3-2-7-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one?
(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one has a molecular weight of 153.23 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one is sourced from PubChem (CID 134858420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).