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

C11H13BrN2O2 — CID 59361697

IUPAC(4-bromofuran-2-yl)-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone
SMILESO=C(c1cc(Br)co1)N1C[C@H]2CN[C@H](C2)C1
InChIInChI=1S/C11H13BrN2O2/c12-8-2-10(16-6-8)11(15)14-4-7-1-9(5-14)13-3-7/h2,6-7,9,13H,1,3-5H2/t7-,9-/m1/s1
InChIKeyGRUQTNBOCPUHGK-VXNVDRBHSA-N
MW285.14 g/mol
LogP1.48
Rot. Bonds1

About (4-bromofuran-2-yl)-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone

(4-bromofuran-2-yl)-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone (PubChem CID 59361697) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is (4-bromofuran-2-yl)-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone.

Molecular Properties

Compound Name(4-bromofuran-2-yl)-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone
PubChem CID59361697
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name(4-bromofuran-2-yl)-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone
SMILESO=C(c1cc(Br)co1)N1C[C@H]2CN[C@H](C2)C1
InChIInChI=1S/C11H13BrN2O2/c12-8-2-10(16-6-8)11(15)14-4-7-1-9(5-14)13-3-7/h2,6-7,9,13H,1,3-5H2/t7-,9-/m1/s1
InChIKeyGRUQTNBOCPUHGK-VXNVDRBHSA-N
XLogP1.48
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromofuran-2-yl)-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone?
The IUPAC name of (4-bromofuran-2-yl)-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone (CID 59361697) is (4-bromofuran-2-yl)-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone.
What is the SMILES notation for (4-bromofuran-2-yl)-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone?
The canonical SMILES for (4-bromofuran-2-yl)-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone is O=C(c1cc(Br)co1)N1C[C@H]2CN[C@H](C2)C1.
What is the InChIKey of (4-bromofuran-2-yl)-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone?
The InChIKey is GRUQTNBOCPUHGK-VXNVDRBHSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-8-2-10(16-6-8)11(15)14-4-7-1-9(5-14)13-3-7/h2,6-7,9,13H,1,3-5H2/t7-,9-/m1/s1.
What are the key properties of (4-bromofuran-2-yl)-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone?
(4-bromofuran-2-yl)-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone has a molecular weight of 285.14 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromofuran-2-yl)-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone is sourced from PubChem (CID 59361697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).