3-azabicyclo[3.3.1]nonan-7-yl-(3-bromofuran-2-yl)methanone

C13H16BrNO2 — CID 25094464

IUPAC3-azabicyclo[3.3.1]nonan-7-yl-(3-bromofuran-2-yl)methanone
SMILESO=C(c1occc1Br)C1CC2CNCC(C2)C1
InChIInChI=1S/C13H16BrNO2/c14-11-1-2-17-13(11)12(16)10-4-8-3-9(5-10)7-15-6-8/h1-2,8-10,15H,3-7H2
InChIKeyDOTDRUYNFULFJZ-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.86
Rot. Bonds2

About 3-azabicyclo[3.3.1]nonan-7-yl-(3-bromofuran-2-yl)methanone

3-azabicyclo[3.3.1]nonan-7-yl-(3-bromofuran-2-yl)methanone (PubChem CID 25094464) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 3-azabicyclo[3.3.1]nonan-7-yl-(3-bromofuran-2-yl)methanone.

Molecular Properties

Compound Name3-azabicyclo[3.3.1]nonan-7-yl-(3-bromofuran-2-yl)methanone
PubChem CID25094464
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name3-azabicyclo[3.3.1]nonan-7-yl-(3-bromofuran-2-yl)methanone
SMILESO=C(c1occc1Br)C1CC2CNCC(C2)C1
InChIInChI=1S/C13H16BrNO2/c14-11-1-2-17-13(11)12(16)10-4-8-3-9(5-10)7-15-6-8/h1-2,8-10,15H,3-7H2
InChIKeyDOTDRUYNFULFJZ-UHFFFAOYSA-N
XLogP2.86
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-azabicyclo[3.3.1]nonan-7-yl-(3-bromofuran-2-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.3.1]nonan-7-yl-(3-bromofuran-2-yl)methanone?
The IUPAC name of 3-azabicyclo[3.3.1]nonan-7-yl-(3-bromofuran-2-yl)methanone (CID 25094464) is 3-azabicyclo[3.3.1]nonan-7-yl-(3-bromofuran-2-yl)methanone.
What is the SMILES notation for 3-azabicyclo[3.3.1]nonan-7-yl-(3-bromofuran-2-yl)methanone?
The canonical SMILES for 3-azabicyclo[3.3.1]nonan-7-yl-(3-bromofuran-2-yl)methanone is O=C(c1occc1Br)C1CC2CNCC(C2)C1.
What is the InChIKey of 3-azabicyclo[3.3.1]nonan-7-yl-(3-bromofuran-2-yl)methanone?
The InChIKey is DOTDRUYNFULFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c14-11-1-2-17-13(11)12(16)10-4-8-3-9(5-10)7-15-6-8/h1-2,8-10,15H,3-7H2.
What are the key properties of 3-azabicyclo[3.3.1]nonan-7-yl-(3-bromofuran-2-yl)methanone?
3-azabicyclo[3.3.1]nonan-7-yl-(3-bromofuran-2-yl)methanone has a molecular weight of 298.18 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.3.1]nonan-7-yl-(3-bromofuran-2-yl)methanone is sourced from PubChem (CID 25094464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).