9-(2-methoxyacetyl)-9-azabicyclo[3.3.1]nonan-3-one

C11H17NO3 — CID 134792193

IUPAC9-(2-methoxyacetyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESCOCC(=O)N1C2CCCC1CC(=O)C2
InChIInChI=1S/C11H17NO3/c1-15-7-11(14)12-8-3-2-4-9(12)6-10(13)5-8/h8-9H,2-7H2,1H3
InChIKeyNZQGLVUJSKLQCQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.75
Rot. Bonds2

About 9-(2-methoxyacetyl)-9-azabicyclo[3.3.1]nonan-3-one

9-(2-methoxyacetyl)-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 134792193) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 9-(2-methoxyacetyl)-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-(2-methoxyacetyl)-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID134792193
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name9-(2-methoxyacetyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESCOCC(=O)N1C2CCCC1CC(=O)C2
InChIInChI=1S/C11H17NO3/c1-15-7-11(14)12-8-3-2-4-9(12)6-10(13)5-8/h8-9H,2-7H2,1H3
InChIKeyNZQGLVUJSKLQCQ-UHFFFAOYSA-N
XLogP0.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyacetyl)-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-(2-methoxyacetyl)-9-azabicyclo[3.3.1]nonan-3-one (CID 134792193) is 9-(2-methoxyacetyl)-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-(2-methoxyacetyl)-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-(2-methoxyacetyl)-9-azabicyclo[3.3.1]nonan-3-one is COCC(=O)N1C2CCCC1CC(=O)C2.
What is the InChIKey of 9-(2-methoxyacetyl)-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is NZQGLVUJSKLQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-15-7-11(14)12-8-3-2-4-9(12)6-10(13)5-8/h8-9H,2-7H2,1H3.
What are the key properties of 9-(2-methoxyacetyl)-9-azabicyclo[3.3.1]nonan-3-one?
9-(2-methoxyacetyl)-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 211.26 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyacetyl)-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 134792193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).