(5-bromothiophen-2-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone

C10H10BrNO2S — CID 126855280

IUPAC(5-bromothiophen-2-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
SMILESO=C(c1ccc(Br)s1)N1CC2CC1CO2
InChIInChI=1S/C10H10BrNO2S/c11-9-2-1-8(15-9)10(13)12-4-7-3-6(12)5-14-7/h1-2,6-7H,3-5H2
InChIKeyWLSRPJQKIWBBND-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.12
Rot. Bonds1

About (5-bromothiophen-2-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone

(5-bromothiophen-2-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone (PubChem CID 126855280) has the molecular formula C10H10BrNO2S and a molecular weight of 288.17 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
PubChem CID126855280
Molecular FormulaC10H10BrNO2S
Molecular Weight288.17 g/mol
Exact Mass286.96
IUPAC Name(5-bromothiophen-2-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
SMILESO=C(c1ccc(Br)s1)N1CC2CC1CO2
InChIInChI=1S/C10H10BrNO2S/c11-9-2-1-8(15-9)10(13)12-4-7-3-6(12)5-14-7/h1-2,6-7H,3-5H2
InChIKeyWLSRPJQKIWBBND-UHFFFAOYSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone (CID 126855280) is (5-bromothiophen-2-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone is O=C(c1ccc(Br)s1)N1CC2CC1CO2.
What is the InChIKey of (5-bromothiophen-2-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The InChIKey is WLSRPJQKIWBBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2S/c11-9-2-1-8(15-9)10(13)12-4-7-3-6(12)5-14-7/h1-2,6-7H,3-5H2.
What are the key properties of (5-bromothiophen-2-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
(5-bromothiophen-2-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone has a molecular weight of 288.17 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone is sourced from PubChem (CID 126855280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).