2-bromo-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one

C10H16BrNO2 — CID 107905266

IUPAC2-bromo-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
SMILESCC(Br)C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C10H16BrNO2/c1-6(11)10(14)12-7-2-3-8(12)5-9(13)4-7/h6-9,13H,2-5H2,1H3
InChIKeyANOAWTHGDURULE-UHFFFAOYSA-N
MW262.15 g/mol
LogP1.28
Rot. Bonds1

About 2-bromo-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one

2-bromo-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one (PubChem CID 107905266) has the molecular formula C10H16BrNO2 and a molecular weight of 262.15 g/mol. Its IUPAC name is 2-bromo-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one.

Molecular Properties

Compound Name2-bromo-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
PubChem CID107905266
Molecular FormulaC10H16BrNO2
Molecular Weight262.15 g/mol
Exact Mass261.04
IUPAC Name2-bromo-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
SMILESCC(Br)C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C10H16BrNO2/c1-6(11)10(14)12-7-2-3-8(12)5-9(13)4-7/h6-9,13H,2-5H2,1H3
InChIKeyANOAWTHGDURULE-UHFFFAOYSA-N
XLogP1.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 51.28
H-Bond Donors ≤ 51
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-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The IUPAC name of 2-bromo-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one (CID 107905266) is 2-bromo-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one.
What is the SMILES notation for 2-bromo-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The canonical SMILES for 2-bromo-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one is CC(Br)C(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of 2-bromo-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The InChIKey is ANOAWTHGDURULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO2/c1-6(11)10(14)12-7-2-3-8(12)5-9(13)4-7/h6-9,13H,2-5H2,1H3.
What are the key properties of 2-bromo-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
2-bromo-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one has a molecular weight of 262.15 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one is sourced from PubChem (CID 107905266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).