N-(1-azabicyclo[2.2.2]octan-3-yl)acetamide

C9H16N2O — CID 5149592

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)acetamide
SMILESCC(=O)NC1CN2CCC1CC2
InChIInChI=1S/C9H16N2O/c1-7(12)10-9-6-11-4-2-8(9)3-5-11/h8-9H,2-6H2,1H3,(H,10,12)
InChIKeyUSNCYWOZRFYMOR-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.22
Rot. Bonds1

About N-(1-azabicyclo[2.2.2]octan-3-yl)acetamide

N-(1-azabicyclo[2.2.2]octan-3-yl)acetamide (PubChem CID 5149592) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)acetamide
PubChem CID5149592
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)acetamide
SMILESCC(=O)NC1CN2CCC1CC2
InChIInChI=1S/C9H16N2O/c1-7(12)10-9-6-11-4-2-8(9)3-5-11/h8-9H,2-6H2,1H3,(H,10,12)
InChIKeyUSNCYWOZRFYMOR-UHFFFAOYSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)acetamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)acetamide (CID 5149592) is N-(1-azabicyclo[2.2.2]octan-3-yl)acetamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)acetamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)acetamide is CC(=O)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)acetamide?
The InChIKey is USNCYWOZRFYMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(12)10-9-6-11-4-2-8(9)3-5-11/h8-9H,2-6H2,1H3,(H,10,12).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)acetamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)acetamide has a molecular weight of 168.24 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)acetamide is sourced from PubChem (CID 5149592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).