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

C15H25NO — CID 62712336

IUPAC9-(2-cyclopentylethyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2CCC1CCCC1
InChIInChI=1S/C15H25NO/c17-15-10-13-6-3-7-14(11-15)16(13)9-8-12-4-1-2-5-12/h12-14H,1-11H2
InChIKeyNFFDHOFZAKNAKT-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.15
Rot. Bonds3

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

9-(2-cyclopentylethyl)-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 62712336) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 9-(2-cyclopentylethyl)-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-(2-cyclopentylethyl)-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID62712336
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name9-(2-cyclopentylethyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2CCC1CCCC1
InChIInChI=1S/C15H25NO/c17-15-10-13-6-3-7-14(11-15)16(13)9-8-12-4-1-2-5-12/h12-14H,1-11H2
InChIKeyNFFDHOFZAKNAKT-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(2-cyclopentylethyl)-9-azabicyclo[3.3.1]nonan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(2-cyclopentylethyl)-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-(2-cyclopentylethyl)-9-azabicyclo[3.3.1]nonan-3-one (CID 62712336) is 9-(2-cyclopentylethyl)-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-(2-cyclopentylethyl)-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-(2-cyclopentylethyl)-9-azabicyclo[3.3.1]nonan-3-one is O=C1CC2CCCC(C1)N2CCC1CCCC1.
What is the InChIKey of 9-(2-cyclopentylethyl)-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is NFFDHOFZAKNAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c17-15-10-13-6-3-7-14(11-15)16(13)9-8-12-4-1-2-5-12/h12-14H,1-11H2.
What are the key properties of 9-(2-cyclopentylethyl)-9-azabicyclo[3.3.1]nonan-3-one?
9-(2-cyclopentylethyl)-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 235.37 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-cyclopentylethyl)-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 62712336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).