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

C12H15BrN2O2 — CID 24945302

IUPAC(3-bromofuran-2-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(c1occc1Br)N1CC2CNCC(C2)C1
InChIInChI=1S/C12H15BrN2O2/c13-10-1-2-17-11(10)12(16)15-6-8-3-9(7-15)5-14-4-8/h1-2,8-9,14H,3-7H2
InChIKeyMTYYINDDZCLHDE-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.72
Rot. Bonds1

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

(3-bromofuran-2-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone (PubChem CID 24945302) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
PubChem CID24945302
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name(3-bromofuran-2-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(c1occc1Br)N1CC2CNCC(C2)C1
InChIInChI=1S/C12H15BrN2O2/c13-10-1-2-17-11(10)12(16)15-6-8-3-9(7-15)5-14-4-8/h1-2,8-9,14H,3-7H2
InChIKeyMTYYINDDZCLHDE-UHFFFAOYSA-N
XLogP1.72
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.72
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)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone?
The IUPAC name of (3-bromofuran-2-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone (CID 24945302) is (3-bromofuran-2-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone.
What is the SMILES notation for (3-bromofuran-2-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone?
The canonical SMILES for (3-bromofuran-2-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone is O=C(c1occc1Br)N1CC2CNCC(C2)C1.
What is the InChIKey of (3-bromofuran-2-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone?
The InChIKey is MTYYINDDZCLHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-10-1-2-17-11(10)12(16)15-6-8-3-9(7-15)5-14-4-8/h1-2,8-9,14H,3-7H2.
What are the key properties of (3-bromofuran-2-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone?
(3-bromofuran-2-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone has a molecular weight of 299.17 g/mol, XLogP of 1.72, 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)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone is sourced from PubChem (CID 24945302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).