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

C14H21NO2 — CID 134793696

IUPAC9-(cyclopentanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2C(=O)C1CCCC1
InChIInChI=1S/C14H21NO2/c16-13-8-11-6-3-7-12(9-13)15(11)14(17)10-4-1-2-5-10/h10-12H,1-9H2
InChIKeyNATKIBYNCCUNIS-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.29
Rot. Bonds1

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

9-(cyclopentanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 134793696) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 9-(cyclopentanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-(cyclopentanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID134793696
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name9-(cyclopentanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2C(=O)C1CCCC1
InChIInChI=1S/C14H21NO2/c16-13-8-11-6-3-7-12(9-13)15(11)14(17)10-4-1-2-5-10/h10-12H,1-9H2
InChIKeyNATKIBYNCCUNIS-UHFFFAOYSA-N
XLogP2.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopentanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-(cyclopentanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one (CID 134793696) is 9-(cyclopentanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-(cyclopentanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-(cyclopentanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one is O=C1CC2CCCC(C1)N2C(=O)C1CCCC1.
What is the InChIKey of 9-(cyclopentanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is NATKIBYNCCUNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-13-8-11-6-3-7-12(9-13)15(11)14(17)10-4-1-2-5-10/h10-12H,1-9H2.
What are the key properties of 9-(cyclopentanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one?
9-(cyclopentanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 235.33 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopentanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 134793696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).