2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetamide

C9H14N2O2 — CID 62739936

IUPAC2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetamide
SMILESNC(=O)CN1C2CCC1CC(=O)C2
InChIInChI=1S/C9H14N2O2/c10-9(13)5-11-6-1-2-7(11)4-8(12)3-6/h6-7H,1-5H2,(H2,10,13)
InChIKeyXGOCSICLAJOUBP-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.33
Rot. Bonds2

About 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetamide

2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetamide (PubChem CID 62739936) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetamide
PubChem CID62739936
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetamide
SMILESNC(=O)CN1C2CCC1CC(=O)C2
InChIInChI=1S/C9H14N2O2/c10-9(13)5-11-6-1-2-7(11)4-8(12)3-6/h6-7H,1-5H2,(H2,10,13)
InChIKeyXGOCSICLAJOUBP-UHFFFAOYSA-N
XLogP-0.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetamide?
The IUPAC name of 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetamide (CID 62739936) is 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetamide.
What is the SMILES notation for 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetamide?
The canonical SMILES for 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetamide is NC(=O)CN1C2CCC1CC(=O)C2.
What is the InChIKey of 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetamide?
The InChIKey is XGOCSICLAJOUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c10-9(13)5-11-6-1-2-7(11)4-8(12)3-6/h6-7H,1-5H2,(H2,10,13).
What are the key properties of 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetamide?
2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetamide has a molecular weight of 182.22 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetamide is sourced from PubChem (CID 62739936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).