1-aminooxy-1-bromobutan-2-ol

C4H10BrNO2 — CID 91120919

IUPAC1-aminooxy-1-bromobutan-2-ol
SMILESCCC(O)C(Br)ON
InChIInChI=1S/C4H10BrNO2/c1-2-3(7)4(5)8-6/h3-4,7H,2,6H2,1H3
InChIKeyGGJWOTZJWBFWBZ-UHFFFAOYSA-N
MW184.03 g/mol
LogP0.37
Rot. Bonds3

About 1-aminooxy-1-bromobutan-2-ol

1-aminooxy-1-bromobutan-2-ol (PubChem CID 91120919) has the molecular formula C4H10BrNO2 and a molecular weight of 184.03 g/mol. Its IUPAC name is 1-aminooxy-1-bromobutan-2-ol.

Molecular Properties

Compound Name1-aminooxy-1-bromobutan-2-ol
PubChem CID91120919
Molecular FormulaC4H10BrNO2
Molecular Weight184.03 g/mol
Exact Mass182.99
IUPAC Name1-aminooxy-1-bromobutan-2-ol
SMILESCCC(O)C(Br)ON
InChIInChI=1S/C4H10BrNO2/c1-2-3(7)4(5)8-6/h3-4,7H,2,6H2,1H3
InChIKeyGGJWOTZJWBFWBZ-UHFFFAOYSA-N
XLogP0.37
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.03
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-aminooxy-1-bromobutan-2-ol?
The IUPAC name of 1-aminooxy-1-bromobutan-2-ol (CID 91120919) is 1-aminooxy-1-bromobutan-2-ol.
What is the SMILES notation for 1-aminooxy-1-bromobutan-2-ol?
The canonical SMILES for 1-aminooxy-1-bromobutan-2-ol is CCC(O)C(Br)ON.
What is the InChIKey of 1-aminooxy-1-bromobutan-2-ol?
The InChIKey is GGJWOTZJWBFWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BrNO2/c1-2-3(7)4(5)8-6/h3-4,7H,2,6H2,1H3.
What are the key properties of 1-aminooxy-1-bromobutan-2-ol?
1-aminooxy-1-bromobutan-2-ol has a molecular weight of 184.03 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooxy-1-bromobutan-2-ol is sourced from PubChem (CID 91120919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).