2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetamide

C10H18N2O2 — CID 67277942

IUPAC2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetamide
SMILESCN1C2COCC1CC(CC(N)=O)C2
InChIInChI=1S/C10H18N2O2/c1-12-8-2-7(4-10(11)13)3-9(12)6-14-5-8/h7-9H,2-6H2,1H3,(H2,11,13)
InChIKeyXFOZKCYHBRRMTA-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.03
Rot. Bonds2

About 2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetamide

2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetamide (PubChem CID 67277942) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetamide.

Molecular Properties

Compound Name2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetamide
PubChem CID67277942
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetamide
SMILESCN1C2COCC1CC(CC(N)=O)C2
InChIInChI=1S/C10H18N2O2/c1-12-8-2-7(4-10(11)13)3-9(12)6-14-5-8/h7-9H,2-6H2,1H3,(H2,11,13)
InChIKeyXFOZKCYHBRRMTA-UHFFFAOYSA-N
XLogP-0.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetamide?
The IUPAC name of 2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetamide (CID 67277942) is 2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetamide.
What is the SMILES notation for 2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetamide?
The canonical SMILES for 2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetamide is CN1C2COCC1CC(CC(N)=O)C2.
What is the InChIKey of 2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetamide?
The InChIKey is XFOZKCYHBRRMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-12-8-2-7(4-10(11)13)3-9(12)6-14-5-8/h7-9H,2-6H2,1H3,(H2,11,13).
What are the key properties of 2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetamide?
2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetamide has a molecular weight of 198.27 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetamide is sourced from PubChem (CID 67277942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).