2-azabicyclo[2.1.1]hexan-5-yl-(3-bromofuran-2-yl)methanone

C10H10BrNO2 — CID 131003152

IUPAC2-azabicyclo[2.1.1]hexan-5-yl-(3-bromofuran-2-yl)methanone
SMILESO=C(c1occc1Br)C1C2CNC1C2
InChIInChI=1S/C10H10BrNO2/c11-6-1-2-14-10(6)9(13)8-5-3-7(8)12-4-5/h1-2,5,7-8,12H,3-4H2
InChIKeyWDPOUZYCWHNYNE-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.83
Rot. Bonds2

About 2-azabicyclo[2.1.1]hexan-5-yl-(3-bromofuran-2-yl)methanone

2-azabicyclo[2.1.1]hexan-5-yl-(3-bromofuran-2-yl)methanone (PubChem CID 131003152) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 2-azabicyclo[2.1.1]hexan-5-yl-(3-bromofuran-2-yl)methanone.

Molecular Properties

Compound Name2-azabicyclo[2.1.1]hexan-5-yl-(3-bromofuran-2-yl)methanone
PubChem CID131003152
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name2-azabicyclo[2.1.1]hexan-5-yl-(3-bromofuran-2-yl)methanone
SMILESO=C(c1occc1Br)C1C2CNC1C2
InChIInChI=1S/C10H10BrNO2/c11-6-1-2-14-10(6)9(13)8-5-3-7(8)12-4-5/h1-2,5,7-8,12H,3-4H2
InChIKeyWDPOUZYCWHNYNE-UHFFFAOYSA-N
XLogP1.83
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.1.1]hexan-5-yl-(3-bromofuran-2-yl)methanone?
The IUPAC name of 2-azabicyclo[2.1.1]hexan-5-yl-(3-bromofuran-2-yl)methanone (CID 131003152) is 2-azabicyclo[2.1.1]hexan-5-yl-(3-bromofuran-2-yl)methanone.
What is the SMILES notation for 2-azabicyclo[2.1.1]hexan-5-yl-(3-bromofuran-2-yl)methanone?
The canonical SMILES for 2-azabicyclo[2.1.1]hexan-5-yl-(3-bromofuran-2-yl)methanone is O=C(c1occc1Br)C1C2CNC1C2.
What is the InChIKey of 2-azabicyclo[2.1.1]hexan-5-yl-(3-bromofuran-2-yl)methanone?
The InChIKey is WDPOUZYCWHNYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c11-6-1-2-14-10(6)9(13)8-5-3-7(8)12-4-5/h1-2,5,7-8,12H,3-4H2.
What are the key properties of 2-azabicyclo[2.1.1]hexan-5-yl-(3-bromofuran-2-yl)methanone?
2-azabicyclo[2.1.1]hexan-5-yl-(3-bromofuran-2-yl)methanone has a molecular weight of 256.10 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.1.1]hexan-5-yl-(3-bromofuran-2-yl)methanone is sourced from PubChem (CID 131003152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).