9-propanoyl-9-azabicyclo[3.3.1]nonan-3-one

C11H17NO2 — CID 134791922

IUPAC9-propanoyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESCCC(=O)N1C2CCCC1CC(=O)C2
InChIInChI=1S/C11H17NO2/c1-2-11(14)12-8-4-3-5-9(12)7-10(13)6-8/h8-9H,2-7H2,1H3
InChIKeyFKSRYDOHAFKCCB-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.51
Rot. Bonds1

About 9-propanoyl-9-azabicyclo[3.3.1]nonan-3-one

9-propanoyl-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 134791922) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 9-propanoyl-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-propanoyl-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID134791922
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name9-propanoyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESCCC(=O)N1C2CCCC1CC(=O)C2
InChIInChI=1S/C11H17NO2/c1-2-11(14)12-8-4-3-5-9(12)7-10(13)6-8/h8-9H,2-7H2,1H3
InChIKeyFKSRYDOHAFKCCB-UHFFFAOYSA-N
XLogP1.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-propanoyl-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-propanoyl-9-azabicyclo[3.3.1]nonan-3-one (CID 134791922) is 9-propanoyl-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-propanoyl-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-propanoyl-9-azabicyclo[3.3.1]nonan-3-one is CCC(=O)N1C2CCCC1CC(=O)C2.
What is the InChIKey of 9-propanoyl-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is FKSRYDOHAFKCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-11(14)12-8-4-3-5-9(12)7-10(13)6-8/h8-9H,2-7H2,1H3.
What are the key properties of 9-propanoyl-9-azabicyclo[3.3.1]nonan-3-one?
9-propanoyl-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 195.26 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propanoyl-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 134791922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).