2-bromo-N-[1-(hydroxymethyl)cyclobutyl]-2-methylpropanamide

C9H16BrNO2 — CID 114329200

IUPAC2-bromo-N-[1-(hydroxymethyl)cyclobutyl]-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NC1(CO)CCC1
InChIInChI=1S/C9H16BrNO2/c1-8(2,10)7(13)11-9(6-12)4-3-5-9/h12H,3-6H2,1-2H3,(H,11,13)
InChIKeyXQHZABUHOXOEQU-UHFFFAOYSA-N
MW250.14 g/mol
LogP1.19
Rot. Bonds3

About 2-bromo-N-[1-(hydroxymethyl)cyclobutyl]-2-methylpropanamide

2-bromo-N-[1-(hydroxymethyl)cyclobutyl]-2-methylpropanamide (PubChem CID 114329200) has the molecular formula C9H16BrNO2 and a molecular weight of 250.14 g/mol. Its IUPAC name is 2-bromo-N-[1-(hydroxymethyl)cyclobutyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[1-(hydroxymethyl)cyclobutyl]-2-methylpropanamide
PubChem CID114329200
Molecular FormulaC9H16BrNO2
Molecular Weight250.14 g/mol
Exact Mass249.04
IUPAC Name2-bromo-N-[1-(hydroxymethyl)cyclobutyl]-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NC1(CO)CCC1
InChIInChI=1S/C9H16BrNO2/c1-8(2,10)7(13)11-9(6-12)4-3-5-9/h12H,3-6H2,1-2H3,(H,11,13)
InChIKeyXQHZABUHOXOEQU-UHFFFAOYSA-N
XLogP1.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[1-(hydroxymethyl)cyclobutyl]-2-methylpropanamide?
The IUPAC name of 2-bromo-N-[1-(hydroxymethyl)cyclobutyl]-2-methylpropanamide (CID 114329200) is 2-bromo-N-[1-(hydroxymethyl)cyclobutyl]-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[1-(hydroxymethyl)cyclobutyl]-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-[1-(hydroxymethyl)cyclobutyl]-2-methylpropanamide is CC(C)(Br)C(=O)NC1(CO)CCC1.
What is the InChIKey of 2-bromo-N-[1-(hydroxymethyl)cyclobutyl]-2-methylpropanamide?
The InChIKey is XQHZABUHOXOEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO2/c1-8(2,10)7(13)11-9(6-12)4-3-5-9/h12H,3-6H2,1-2H3,(H,11,13).
What are the key properties of 2-bromo-N-[1-(hydroxymethyl)cyclobutyl]-2-methylpropanamide?
2-bromo-N-[1-(hydroxymethyl)cyclobutyl]-2-methylpropanamide has a molecular weight of 250.14 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(hydroxymethyl)cyclobutyl]-2-methylpropanamide is sourced from PubChem (CID 114329200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).