(5-chlorofuran-2-yl)-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone

C11H13ClN2O2 — CID 71455500

IUPAC(5-chlorofuran-2-yl)-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone
SMILESO=C(c1ccc(Cl)o1)N1C[C@H]2CN[C@@H](C2)C1
InChIInChI=1S/C11H13ClN2O2/c12-10-2-1-9(16-10)11(15)14-5-7-3-8(6-14)13-4-7/h1-2,7-8,13H,3-6H2/t7-,8+/m1/s1
InChIKeyXLPXWVVFGRJJCY-SFYZADRCSA-N
MW240.69 g/mol
LogP1.37
Rot. Bonds1

About (5-chlorofuran-2-yl)-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone

(5-chlorofuran-2-yl)-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone (PubChem CID 71455500) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone
PubChem CID71455500
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name(5-chlorofuran-2-yl)-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone
SMILESO=C(c1ccc(Cl)o1)N1C[C@H]2CN[C@@H](C2)C1
InChIInChI=1S/C11H13ClN2O2/c12-10-2-1-9(16-10)11(15)14-5-7-3-8(6-14)13-4-7/h1-2,7-8,13H,3-6H2/t7-,8+/m1/s1
InChIKeyXLPXWVVFGRJJCY-SFYZADRCSA-N
XLogP1.37
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-chlorofuran-2-yl)-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-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 (5-chlorofuran-2-yl)-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone?
The IUPAC name of (5-chlorofuran-2-yl)-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone (CID 71455500) is (5-chlorofuran-2-yl)-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone is O=C(c1ccc(Cl)o1)N1C[C@H]2CN[C@@H](C2)C1.
What is the InChIKey of (5-chlorofuran-2-yl)-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone?
The InChIKey is XLPXWVVFGRJJCY-SFYZADRCSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-10-2-1-9(16-10)11(15)14-5-7-3-8(6-14)13-4-7/h1-2,7-8,13H,3-6H2/t7-,8+/m1/s1.
What are the key properties of (5-chlorofuran-2-yl)-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone?
(5-chlorofuran-2-yl)-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone has a molecular weight of 240.69 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone is sourced from PubChem (CID 71455500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).