(3-bromofuran-2-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone

C11H13BrN2O2 — CID 25073238

IUPAC(3-bromofuran-2-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone
SMILESO=C(c1occc1Br)N1CC2NCCCC21
InChIInChI=1S/C11H13BrN2O2/c12-7-3-5-16-10(7)11(15)14-6-8-9(14)2-1-4-13-8/h3,5,8-9,13H,1-2,4,6H2
InChIKeyOVGJAGXLJAHCTD-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.62
Rot. Bonds1

About (3-bromofuran-2-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone

(3-bromofuran-2-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone (PubChem CID 25073238) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone
PubChem CID25073238
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name(3-bromofuran-2-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone
SMILESO=C(c1occc1Br)N1CC2NCCCC21
InChIInChI=1S/C11H13BrN2O2/c12-7-3-5-16-10(7)11(15)14-6-8-9(14)2-1-4-13-8/h3,5,8-9,13H,1-2,4,6H2
InChIKeyOVGJAGXLJAHCTD-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone?
The IUPAC name of (3-bromofuran-2-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone (CID 25073238) is (3-bromofuran-2-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone.
What is the SMILES notation for (3-bromofuran-2-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone?
The canonical SMILES for (3-bromofuran-2-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone is O=C(c1occc1Br)N1CC2NCCCC21.
What is the InChIKey of (3-bromofuran-2-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone?
The InChIKey is OVGJAGXLJAHCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-7-3-5-16-10(7)11(15)14-6-8-9(14)2-1-4-13-8/h3,5,8-9,13H,1-2,4,6H2.
What are the key properties of (3-bromofuran-2-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone?
(3-bromofuran-2-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone has a molecular weight of 285.14 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone is sourced from PubChem (CID 25073238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).