2-cyclopentyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone

C14H23NO2 — CID 171937739

IUPAC2-cyclopentyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone
SMILESO=C(CC1CCCC1)C1CC2COCC(C1)N2
InChIInChI=1S/C14H23NO2/c16-14(5-10-3-1-2-4-10)11-6-12-8-17-9-13(7-11)15-12/h10-13,15H,1-9H2
InChIKeyGJGYIRCHEOBXTM-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.90
Rot. Bonds3

About 2-cyclopentyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone

2-cyclopentyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone (PubChem CID 171937739) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-cyclopentyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone
PubChem CID171937739
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-cyclopentyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone
SMILESO=C(CC1CCCC1)C1CC2COCC(C1)N2
InChIInChI=1S/C14H23NO2/c16-14(5-10-3-1-2-4-10)11-6-12-8-17-9-13(7-11)15-12/h10-13,15H,1-9H2
InChIKeyGJGYIRCHEOBXTM-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone 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 2-cyclopentyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone?
The IUPAC name of 2-cyclopentyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone (CID 171937739) is 2-cyclopentyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone.
What is the SMILES notation for 2-cyclopentyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone?
The canonical SMILES for 2-cyclopentyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone is O=C(CC1CCCC1)C1CC2COCC(C1)N2.
What is the InChIKey of 2-cyclopentyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone?
The InChIKey is GJGYIRCHEOBXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c16-14(5-10-3-1-2-4-10)11-6-12-8-17-9-13(7-11)15-12/h10-13,15H,1-9H2.
What are the key properties of 2-cyclopentyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone?
2-cyclopentyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone has a molecular weight of 237.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone is sourced from PubChem (CID 171937739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).