N-(3-bicyclo[3.3.1]non-6-enyl)-2,2,2-trichloroacetamide

C11H14Cl3NO — CID 68636753

IUPACN-(3-bicyclo[3.3.1]non-6-enyl)-2,2,2-trichloroacetamide
SMILESO=C(NC1CC2C=CCC(C2)C1)C(Cl)(Cl)Cl
InChIInChI=1S/C11H14Cl3NO/c12-11(13,14)10(16)15-9-5-7-2-1-3-8(4-7)6-9/h1-2,7-9H,3-6H2,(H,15,16)
InChIKeySUJLIFLMISZKNY-UHFFFAOYSA-N
MW282.60 g/mol
LogP3.22
Rot. Bonds1

About N-(3-bicyclo[3.3.1]non-6-enyl)-2,2,2-trichloroacetamide

N-(3-bicyclo[3.3.1]non-6-enyl)-2,2,2-trichloroacetamide (PubChem CID 68636753) has the molecular formula C11H14Cl3NO and a molecular weight of 282.60 g/mol. Its IUPAC name is N-(3-bicyclo[3.3.1]non-6-enyl)-2,2,2-trichloroacetamide.

Molecular Properties

Compound NameN-(3-bicyclo[3.3.1]non-6-enyl)-2,2,2-trichloroacetamide
PubChem CID68636753
Molecular FormulaC11H14Cl3NO
Molecular Weight282.60 g/mol
Exact Mass281.01
IUPAC NameN-(3-bicyclo[3.3.1]non-6-enyl)-2,2,2-trichloroacetamide
SMILESO=C(NC1CC2C=CCC(C2)C1)C(Cl)(Cl)Cl
InChIInChI=1S/C11H14Cl3NO/c12-11(13,14)10(16)15-9-5-7-2-1-3-8(4-7)6-9/h1-2,7-9H,3-6H2,(H,15,16)
InChIKeySUJLIFLMISZKNY-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.60
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-bicyclo[3.3.1]non-6-enyl)-2,2,2-trichloroacetamide?
The IUPAC name of N-(3-bicyclo[3.3.1]non-6-enyl)-2,2,2-trichloroacetamide (CID 68636753) is N-(3-bicyclo[3.3.1]non-6-enyl)-2,2,2-trichloroacetamide.
What is the SMILES notation for N-(3-bicyclo[3.3.1]non-6-enyl)-2,2,2-trichloroacetamide?
The canonical SMILES for N-(3-bicyclo[3.3.1]non-6-enyl)-2,2,2-trichloroacetamide is O=C(NC1CC2C=CCC(C2)C1)C(Cl)(Cl)Cl.
What is the InChIKey of N-(3-bicyclo[3.3.1]non-6-enyl)-2,2,2-trichloroacetamide?
The InChIKey is SUJLIFLMISZKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl3NO/c12-11(13,14)10(16)15-9-5-7-2-1-3-8(4-7)6-9/h1-2,7-9H,3-6H2,(H,15,16).
What are the key properties of N-(3-bicyclo[3.3.1]non-6-enyl)-2,2,2-trichloroacetamide?
N-(3-bicyclo[3.3.1]non-6-enyl)-2,2,2-trichloroacetamide has a molecular weight of 282.60 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bicyclo[3.3.1]non-6-enyl)-2,2,2-trichloroacetamide is sourced from PubChem (CID 68636753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).