2-bromo-N-(3,3-dimethylcyclobutyl)acetamide

C8H14BrNO — CID 67085156

IUPAC2-bromo-N-(3,3-dimethylcyclobutyl)acetamide
SMILESCC1(C)CC(NC(=O)CBr)C1
InChIInChI=1S/C8H14BrNO/c1-8(2)3-6(4-8)10-7(11)5-9/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyJWSAJZGFIUAUEQ-UHFFFAOYSA-N
MW220.11 g/mol
LogP1.69
Rot. Bonds2

About 2-bromo-N-(3,3-dimethylcyclobutyl)acetamide

2-bromo-N-(3,3-dimethylcyclobutyl)acetamide (PubChem CID 67085156) has the molecular formula C8H14BrNO and a molecular weight of 220.11 g/mol. Its IUPAC name is 2-bromo-N-(3,3-dimethylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(3,3-dimethylcyclobutyl)acetamide
PubChem CID67085156
Molecular FormulaC8H14BrNO
Molecular Weight220.11 g/mol
Exact Mass219.03
IUPAC Name2-bromo-N-(3,3-dimethylcyclobutyl)acetamide
SMILESCC1(C)CC(NC(=O)CBr)C1
InChIInChI=1S/C8H14BrNO/c1-8(2)3-6(4-8)10-7(11)5-9/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyJWSAJZGFIUAUEQ-UHFFFAOYSA-N
XLogP1.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,3-dimethylcyclobutyl)acetamide?
The IUPAC name of 2-bromo-N-(3,3-dimethylcyclobutyl)acetamide (CID 67085156) is 2-bromo-N-(3,3-dimethylcyclobutyl)acetamide.
What is the SMILES notation for 2-bromo-N-(3,3-dimethylcyclobutyl)acetamide?
The canonical SMILES for 2-bromo-N-(3,3-dimethylcyclobutyl)acetamide is CC1(C)CC(NC(=O)CBr)C1.
What is the InChIKey of 2-bromo-N-(3,3-dimethylcyclobutyl)acetamide?
The InChIKey is JWSAJZGFIUAUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO/c1-8(2)3-6(4-8)10-7(11)5-9/h6H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-bromo-N-(3,3-dimethylcyclobutyl)acetamide?
2-bromo-N-(3,3-dimethylcyclobutyl)acetamide has a molecular weight of 220.11 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3,3-dimethylcyclobutyl)acetamide is sourced from PubChem (CID 67085156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).