1-cyclopentyl-2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)ethanone

C15H23NO2 — CID 114247506

IUPAC1-cyclopentyl-2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)ethanone
SMILESO=C(CN1CC2CC3CC2C1C3O)C1CCCC1
InChIInChI=1S/C15H23NO2/c17-13(9-3-1-2-4-9)8-16-7-11-5-10-6-12(11)14(16)15(10)18/h9-12,14-15,18H,1-8H2
InChIKeyYJNJZLQEHTXPBY-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.45
Rot. Bonds3

About 1-cyclopentyl-2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)ethanone

1-cyclopentyl-2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)ethanone (PubChem CID 114247506) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)ethanone
PubChem CID114247506
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-cyclopentyl-2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)ethanone
SMILESO=C(CN1CC2CC3CC2C1C3O)C1CCCC1
InChIInChI=1S/C15H23NO2/c17-13(9-3-1-2-4-9)8-16-7-11-5-10-6-12(11)14(16)15(10)18/h9-12,14-15,18H,1-8H2
InChIKeyYJNJZLQEHTXPBY-UHFFFAOYSA-N
XLogP1.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)ethanone?
The IUPAC name of 1-cyclopentyl-2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)ethanone (CID 114247506) is 1-cyclopentyl-2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)ethanone.
What is the SMILES notation for 1-cyclopentyl-2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)ethanone?
The canonical SMILES for 1-cyclopentyl-2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)ethanone is O=C(CN1CC2CC3CC2C1C3O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)ethanone?
The InChIKey is YJNJZLQEHTXPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c17-13(9-3-1-2-4-9)8-16-7-11-5-10-6-12(11)14(16)15(10)18/h9-12,14-15,18H,1-8H2.
What are the key properties of 1-cyclopentyl-2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)ethanone?
1-cyclopentyl-2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)ethanone has a molecular weight of 249.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)ethanone is sourced from PubChem (CID 114247506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).