2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylacetamide

C13H22N2O2 — CID 62713584

IUPAC2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1C2CCCC1CC(=O)C2
InChIInChI=1S/C13H22N2O2/c1-2-6-14-13(17)9-15-10-4-3-5-11(15)8-12(16)7-10/h10-11H,2-9H2,1H3,(H,14,17)
InChIKeyLSBPDGUPQQKNRE-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.10
Rot. Bonds4

About 2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylacetamide

2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylacetamide (PubChem CID 62713584) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylacetamide
PubChem CID62713584
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1C2CCCC1CC(=O)C2
InChIInChI=1S/C13H22N2O2/c1-2-6-14-13(17)9-15-10-4-3-5-11(15)8-12(16)7-10/h10-11H,2-9H2,1H3,(H,14,17)
InChIKeyLSBPDGUPQQKNRE-UHFFFAOYSA-N
XLogP1.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylacetamide?
The IUPAC name of 2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylacetamide (CID 62713584) is 2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylacetamide.
What is the SMILES notation for 2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylacetamide?
The canonical SMILES for 2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylacetamide is CCCNC(=O)CN1C2CCCC1CC(=O)C2.
What is the InChIKey of 2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylacetamide?
The InChIKey is LSBPDGUPQQKNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-6-14-13(17)9-15-10-4-3-5-11(15)8-12(16)7-10/h10-11H,2-9H2,1H3,(H,14,17).
What are the key properties of 2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylacetamide?
2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylacetamide has a molecular weight of 238.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylacetamide is sourced from PubChem (CID 62713584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).