5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide

C10H12BrNO4 — CID 84590622

IUPAC5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide
SMILESO=C(NCC1(O)CCOC1)c1coc(Br)c1
InChIInChI=1S/C10H12BrNO4/c11-8-3-7(4-16-8)9(13)12-5-10(14)1-2-15-6-10/h3-4,14H,1-2,5-6H2,(H,12,13)
InChIKeyLNWJQTKYIUMOOI-UHFFFAOYSA-N
MW290.11 g/mol
LogP0.92
Rot. Bonds3

About 5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide

5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide (PubChem CID 84590622) has the molecular formula C10H12BrNO4 and a molecular weight of 290.11 g/mol. Its IUPAC name is 5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide
PubChem CID84590622
Molecular FormulaC10H12BrNO4
Molecular Weight290.11 g/mol
Exact Mass288.99
IUPAC Name5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide
SMILESO=C(NCC1(O)CCOC1)c1coc(Br)c1
InChIInChI=1S/C10H12BrNO4/c11-8-3-7(4-16-8)9(13)12-5-10(14)1-2-15-6-10/h3-4,14H,1-2,5-6H2,(H,12,13)
InChIKeyLNWJQTKYIUMOOI-UHFFFAOYSA-N
XLogP0.92
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide?
The IUPAC name of 5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide (CID 84590622) is 5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide is O=C(NCC1(O)CCOC1)c1coc(Br)c1.
What is the InChIKey of 5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide?
The InChIKey is LNWJQTKYIUMOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4/c11-8-3-7(4-16-8)9(13)12-5-10(14)1-2-15-6-10/h3-4,14H,1-2,5-6H2,(H,12,13).
What are the key properties of 5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide?
5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide has a molecular weight of 290.11 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 84590622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).