2-bromo-N-cyclobutylacetamide

C6H10BrNO — CID 44542668

IUPAC2-bromo-N-cyclobutylacetamide
SMILESO=C(CBr)NC1CCC1
InChIInChI=1S/C6H10BrNO/c7-4-6(9)8-5-2-1-3-5/h5H,1-4H2,(H,8,9)
InChIKeyKBFMNPNWFBFTBK-UHFFFAOYSA-N
MW192.06 g/mol
LogP1.05
Rot. Bonds2

About 2-bromo-N-cyclobutylacetamide

2-bromo-N-cyclobutylacetamide (PubChem CID 44542668) has the molecular formula C6H10BrNO and a molecular weight of 192.06 g/mol. Its IUPAC name is 2-bromo-N-cyclobutylacetamide.

Molecular Properties

Compound Name2-bromo-N-cyclobutylacetamide
PubChem CID44542668
Molecular FormulaC6H10BrNO
Molecular Weight192.06 g/mol
Exact Mass190.99
IUPAC Name2-bromo-N-cyclobutylacetamide
SMILESO=C(CBr)NC1CCC1
InChIInChI=1S/C6H10BrNO/c7-4-6(9)8-5-2-1-3-5/h5H,1-4H2,(H,8,9)
InChIKeyKBFMNPNWFBFTBK-UHFFFAOYSA-N
XLogP1.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.06
LogP ≤ 51.05
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-cyclobutylacetamide?
The IUPAC name of 2-bromo-N-cyclobutylacetamide (CID 44542668) is 2-bromo-N-cyclobutylacetamide.
What is the SMILES notation for 2-bromo-N-cyclobutylacetamide?
The canonical SMILES for 2-bromo-N-cyclobutylacetamide is O=C(CBr)NC1CCC1.
What is the InChIKey of 2-bromo-N-cyclobutylacetamide?
The InChIKey is KBFMNPNWFBFTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrNO/c7-4-6(9)8-5-2-1-3-5/h5H,1-4H2,(H,8,9).
What are the key properties of 2-bromo-N-cyclobutylacetamide?
2-bromo-N-cyclobutylacetamide has a molecular weight of 192.06 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclobutylacetamide is sourced from PubChem (CID 44542668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).