9-(3-cyclopentylpropyl)-9-azabicyclo[3.3.1]nonan-3-one

C16H27NO — CID 106008376

IUPAC9-(3-cyclopentylpropyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2CCCC1CCCC1
InChIInChI=1S/C16H27NO/c18-16-11-14-8-3-9-15(12-16)17(14)10-4-7-13-5-1-2-6-13/h13-15H,1-12H2
InChIKeyVBDFTQPTUMJYOI-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.54
Rot. Bonds4

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

9-(3-cyclopentylpropyl)-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 106008376) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 9-(3-cyclopentylpropyl)-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-(3-cyclopentylpropyl)-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID106008376
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name9-(3-cyclopentylpropyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2CCCC1CCCC1
InChIInChI=1S/C16H27NO/c18-16-11-14-8-3-9-15(12-16)17(14)10-4-7-13-5-1-2-6-13/h13-15H,1-12H2
InChIKeyVBDFTQPTUMJYOI-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(3-cyclopentylpropyl)-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-(3-cyclopentylpropyl)-9-azabicyclo[3.3.1]nonan-3-one (CID 106008376) is 9-(3-cyclopentylpropyl)-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-(3-cyclopentylpropyl)-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-(3-cyclopentylpropyl)-9-azabicyclo[3.3.1]nonan-3-one is O=C1CC2CCCC(C1)N2CCCC1CCCC1.
What is the InChIKey of 9-(3-cyclopentylpropyl)-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is VBDFTQPTUMJYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c18-16-11-14-8-3-9-15(12-16)17(14)10-4-7-13-5-1-2-6-13/h13-15H,1-12H2.
What are the key properties of 9-(3-cyclopentylpropyl)-9-azabicyclo[3.3.1]nonan-3-one?
9-(3-cyclopentylpropyl)-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 249.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-cyclopentylpropyl)-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 106008376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).