N-[2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)ethyl]acetamide

C12H20N2O2 — CID 62713050

IUPACN-[2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)ethyl]acetamide
SMILESCC(=O)NCCN1C2CCCC1CC(=O)C2
InChIInChI=1S/C12H20N2O2/c1-9(15)13-5-6-14-10-3-2-4-11(14)8-12(16)7-10/h10-11H,2-8H2,1H3,(H,13,15)
InChIKeyROLKWWFXZJPMGY-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.71
Rot. Bonds3

About N-[2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)ethyl]acetamide

N-[2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)ethyl]acetamide (PubChem CID 62713050) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)ethyl]acetamide
PubChem CID62713050
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)ethyl]acetamide
SMILESCC(=O)NCCN1C2CCCC1CC(=O)C2
InChIInChI=1S/C12H20N2O2/c1-9(15)13-5-6-14-10-3-2-4-11(14)8-12(16)7-10/h10-11H,2-8H2,1H3,(H,13,15)
InChIKeyROLKWWFXZJPMGY-UHFFFAOYSA-N
XLogP0.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)ethyl]acetamide?
The IUPAC name of N-[2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)ethyl]acetamide (CID 62713050) is N-[2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)ethyl]acetamide is CC(=O)NCCN1C2CCCC1CC(=O)C2.
What is the InChIKey of N-[2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)ethyl]acetamide?
The InChIKey is ROLKWWFXZJPMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(15)13-5-6-14-10-3-2-4-11(14)8-12(16)7-10/h10-11H,2-8H2,1H3,(H,13,15).
What are the key properties of N-[2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)ethyl]acetamide?
N-[2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)ethyl]acetamide has a molecular weight of 224.30 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)ethyl]acetamide is sourced from PubChem (CID 62713050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).