4-bromo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrrole-2-carboxamide

C11H13BrN2O2 — CID 80602113

IUPAC4-bromo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CC2CCC1O2)c1cc(Br)c[nH]1
InChIInChI=1S/C11H13BrN2O2/c12-6-3-9(13-5-6)11(15)14-8-4-7-1-2-10(8)16-7/h3,5,7-8,10,13H,1-2,4H2,(H,14,15)
InChIKeyWYPOVSVWJXPHNE-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.83
Rot. Bonds2

About 4-bromo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrrole-2-carboxamide

4-bromo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrrole-2-carboxamide (PubChem CID 80602113) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 4-bromo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrrole-2-carboxamide
PubChem CID80602113
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name4-bromo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CC2CCC1O2)c1cc(Br)c[nH]1
InChIInChI=1S/C11H13BrN2O2/c12-6-3-9(13-5-6)11(15)14-8-4-7-1-2-10(8)16-7/h3,5,7-8,10,13H,1-2,4H2,(H,14,15)
InChIKeyWYPOVSVWJXPHNE-UHFFFAOYSA-N
XLogP1.83
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrrole-2-carboxamide (CID 80602113) is 4-bromo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrrole-2-carboxamide is O=C(NC1CC2CCC1O2)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is WYPOVSVWJXPHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-6-3-9(13-5-6)11(15)14-8-4-7-1-2-10(8)16-7/h3,5,7-8,10,13H,1-2,4H2,(H,14,15).
What are the key properties of 4-bromo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 285.14 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 80602113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).