N-(2-bicyclo[2.2.2]oct-5-enyl)acetamide

C10H15NO — CID 67989984

IUPACN-(2-bicyclo[2.2.2]oct-5-enyl)acetamide
SMILESCC(=O)NC1CC2C=CC1CC2
InChIInChI=1S/C10H15NO/c1-7(12)11-10-6-8-2-4-9(10)5-3-8/h2,4,8-10H,3,5-6H2,1H3,(H,11,12)
InChIKeyVTSPZMRUYGOMQF-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.48
Rot. Bonds1

About N-(2-bicyclo[2.2.2]oct-5-enyl)acetamide

N-(2-bicyclo[2.2.2]oct-5-enyl)acetamide (PubChem CID 67989984) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.2]oct-5-enyl)acetamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.2]oct-5-enyl)acetamide
PubChem CID67989984
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-(2-bicyclo[2.2.2]oct-5-enyl)acetamide
SMILESCC(=O)NC1CC2C=CC1CC2
InChIInChI=1S/C10H15NO/c1-7(12)11-10-6-8-2-4-9(10)5-3-8/h2,4,8-10H,3,5-6H2,1H3,(H,11,12)
InChIKeyVTSPZMRUYGOMQF-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.2]oct-5-enyl)acetamide?
The IUPAC name of N-(2-bicyclo[2.2.2]oct-5-enyl)acetamide (CID 67989984) is N-(2-bicyclo[2.2.2]oct-5-enyl)acetamide.
What is the SMILES notation for N-(2-bicyclo[2.2.2]oct-5-enyl)acetamide?
The canonical SMILES for N-(2-bicyclo[2.2.2]oct-5-enyl)acetamide is CC(=O)NC1CC2C=CC1CC2.
What is the InChIKey of N-(2-bicyclo[2.2.2]oct-5-enyl)acetamide?
The InChIKey is VTSPZMRUYGOMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(12)11-10-6-8-2-4-9(10)5-3-8/h2,4,8-10H,3,5-6H2,1H3,(H,11,12).
What are the key properties of N-(2-bicyclo[2.2.2]oct-5-enyl)acetamide?
N-(2-bicyclo[2.2.2]oct-5-enyl)acetamide has a molecular weight of 165.24 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.2]oct-5-enyl)acetamide is sourced from PubChem (CID 67989984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).