(2R)-1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-bromopropan-1-one

C9H14BrNO — CID 124677062

IUPAC(2R)-1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-bromopropan-1-one
SMILESC[C@@H](Br)C(=O)N1C2CCC1CC2
InChIInChI=1S/C9H14BrNO/c1-6(10)9(12)11-7-2-3-8(11)5-4-7/h6-8H,2-5H2,1H3/t6-,7?,8?/m1/s1
InChIKeyGKYIPRWSJHWARZ-JECWYVHBSA-N
MW232.12 g/mol
LogP1.92
Rot. Bonds1

About (2R)-1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-bromopropan-1-one

(2R)-1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-bromopropan-1-one (PubChem CID 124677062) has the molecular formula C9H14BrNO and a molecular weight of 232.12 g/mol. Its IUPAC name is (2R)-1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-bromopropan-1-one.

Molecular Properties

Compound Name(2R)-1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-bromopropan-1-one
PubChem CID124677062
Molecular FormulaC9H14BrNO
Molecular Weight232.12 g/mol
Exact Mass231.03
IUPAC Name(2R)-1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-bromopropan-1-one
SMILESC[C@@H](Br)C(=O)N1C2CCC1CC2
InChIInChI=1S/C9H14BrNO/c1-6(10)9(12)11-7-2-3-8(11)5-4-7/h6-8H,2-5H2,1H3/t6-,7?,8?/m1/s1
InChIKeyGKYIPRWSJHWARZ-JECWYVHBSA-N
XLogP1.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-bromopropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 107905266
1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methylpropan-1-one
CID 54261478
(2R)-2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 130949881
2-bromo-3-methyl-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one
CID 164661059
1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-bromopropan-1-one
CID 107905003
2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-methylbutan-1-one
CID 119328025
3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methyl-3-oxopropanoic acid
CID 114898469
2-bromo-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 107905419
2-chloro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 63769060
2-bromo-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 107905215
2-bromo-1-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 107904621
4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103498445

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-bromopropan-1-one?
The IUPAC name of (2R)-1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-bromopropan-1-one (CID 124677062) is (2R)-1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-bromopropan-1-one.
What is the SMILES notation for (2R)-1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-bromopropan-1-one?
The canonical SMILES for (2R)-1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-bromopropan-1-one is C[C@@H](Br)C(=O)N1C2CCC1CC2.
What is the InChIKey of (2R)-1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-bromopropan-1-one?
The InChIKey is GKYIPRWSJHWARZ-JECWYVHBSA-N. The full InChI is InChI=1S/C9H14BrNO/c1-6(10)9(12)11-7-2-3-8(11)5-4-7/h6-8H,2-5H2,1H3/t6-,7?,8?/m1/s1.
What are the key properties of (2R)-1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-bromopropan-1-one?
(2R)-1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-bromopropan-1-one has a molecular weight of 232.12 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-bromopropan-1-one is sourced from PubChem (CID 124677062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).