2-bromo-N-(cyclobutylmethyl)acetamide

C7H12BrNO — CID 63679666

IUPAC2-bromo-N-(cyclobutylmethyl)acetamide
SMILESO=C(CBr)NCC1CCC1
InChIInChI=1S/C7H12BrNO/c8-4-7(10)9-5-6-2-1-3-6/h6H,1-5H2,(H,9,10)
InChIKeyJIZXUFPKTRSJCI-UHFFFAOYSA-N
MW206.08 g/mol
LogP1.30
Rot. Bonds3

About 2-bromo-N-(cyclobutylmethyl)acetamide

2-bromo-N-(cyclobutylmethyl)acetamide (PubChem CID 63679666) has the molecular formula C7H12BrNO and a molecular weight of 206.08 g/mol. Its IUPAC name is 2-bromo-N-(cyclobutylmethyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(cyclobutylmethyl)acetamide
PubChem CID63679666
Molecular FormulaC7H12BrNO
Molecular Weight206.08 g/mol
Exact Mass205.01
IUPAC Name2-bromo-N-(cyclobutylmethyl)acetamide
SMILESO=C(CBr)NCC1CCC1
InChIInChI=1S/C7H12BrNO/c8-4-7(10)9-5-6-2-1-3-6/h6H,1-5H2,(H,9,10)
InChIKeyJIZXUFPKTRSJCI-UHFFFAOYSA-N
XLogP1.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.08
LogP ≤ 51.30
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-(cyclobutylmethyl)acetamide?
The IUPAC name of 2-bromo-N-(cyclobutylmethyl)acetamide (CID 63679666) is 2-bromo-N-(cyclobutylmethyl)acetamide.
What is the SMILES notation for 2-bromo-N-(cyclobutylmethyl)acetamide?
The canonical SMILES for 2-bromo-N-(cyclobutylmethyl)acetamide is O=C(CBr)NCC1CCC1.
What is the InChIKey of 2-bromo-N-(cyclobutylmethyl)acetamide?
The InChIKey is JIZXUFPKTRSJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrNO/c8-4-7(10)9-5-6-2-1-3-6/h6H,1-5H2,(H,9,10).
What are the key properties of 2-bromo-N-(cyclobutylmethyl)acetamide?
2-bromo-N-(cyclobutylmethyl)acetamide has a molecular weight of 206.08 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclobutylmethyl)acetamide is sourced from PubChem (CID 63679666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).