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

C15H25NO — CID 64921492

IUPAC9-(2,3-dimethylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC1CCC(N2C3CCCC2CC(=O)C3)C1C
InChIInChI=1S/C15H25NO/c1-10-6-7-15(11(10)2)16-12-4-3-5-13(16)9-14(17)8-12/h10-13,15H,3-9H2,1-2H3
InChIKeyUPAPSPFMUBTUMP-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.01
Rot. Bonds1

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

9-(2,3-dimethylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 64921492) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 9-(2,3-dimethylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-(2,3-dimethylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID64921492
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name9-(2,3-dimethylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC1CCC(N2C3CCCC2CC(=O)C3)C1C
InChIInChI=1S/C15H25NO/c1-10-6-7-15(11(10)2)16-12-4-3-5-13(16)9-14(17)8-12/h10-13,15H,3-9H2,1-2H3
InChIKeyUPAPSPFMUBTUMP-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(2,3-dimethylcyclopentyl)-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-(2,3-dimethylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-(2,3-dimethylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one (CID 64921492) is 9-(2,3-dimethylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-(2,3-dimethylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-(2,3-dimethylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one is CC1CCC(N2C3CCCC2CC(=O)C3)C1C.
What is the InChIKey of 9-(2,3-dimethylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is UPAPSPFMUBTUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10-6-7-15(11(10)2)16-12-4-3-5-13(16)9-14(17)8-12/h10-13,15H,3-9H2,1-2H3.
What are the key properties of 9-(2,3-dimethylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one?
9-(2,3-dimethylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 235.37 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3-dimethylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 64921492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).