5-bromo-N-but-2-ynyl-2-methylfuran-3-carboxamide

C10H10BrNO2 — CID 130855281

IUPAC5-bromo-N-but-2-ynyl-2-methylfuran-3-carboxamide
SMILESCC#CCNC(=O)c1cc(Br)oc1C
InChIInChI=1S/C10H10BrNO2/c1-3-4-5-12-10(13)8-6-9(11)14-7(8)2/h6H,5H2,1-2H3,(H,12,13)
InChIKeyJYJRBIBCGSOKTG-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.10
Rot. Bonds2

About 5-bromo-N-but-2-ynyl-2-methylfuran-3-carboxamide

5-bromo-N-but-2-ynyl-2-methylfuran-3-carboxamide (PubChem CID 130855281) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 5-bromo-N-but-2-ynyl-2-methylfuran-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-but-2-ynyl-2-methylfuran-3-carboxamide
PubChem CID130855281
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name5-bromo-N-but-2-ynyl-2-methylfuran-3-carboxamide
SMILESCC#CCNC(=O)c1cc(Br)oc1C
InChIInChI=1S/C10H10BrNO2/c1-3-4-5-12-10(13)8-6-9(11)14-7(8)2/h6H,5H2,1-2H3,(H,12,13)
InChIKeyJYJRBIBCGSOKTG-UHFFFAOYSA-N
XLogP2.10
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-but-2-ynyl-2-methylfuran-3-carboxamide?
The IUPAC name of 5-bromo-N-but-2-ynyl-2-methylfuran-3-carboxamide (CID 130855281) is 5-bromo-N-but-2-ynyl-2-methylfuran-3-carboxamide.
What is the SMILES notation for 5-bromo-N-but-2-ynyl-2-methylfuran-3-carboxamide?
The canonical SMILES for 5-bromo-N-but-2-ynyl-2-methylfuran-3-carboxamide is CC#CCNC(=O)c1cc(Br)oc1C.
What is the InChIKey of 5-bromo-N-but-2-ynyl-2-methylfuran-3-carboxamide?
The InChIKey is JYJRBIBCGSOKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-3-4-5-12-10(13)8-6-9(11)14-7(8)2/h6H,5H2,1-2H3,(H,12,13).
What are the key properties of 5-bromo-N-but-2-ynyl-2-methylfuran-3-carboxamide?
5-bromo-N-but-2-ynyl-2-methylfuran-3-carboxamide has a molecular weight of 256.10 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-but-2-ynyl-2-methylfuran-3-carboxamide is sourced from PubChem (CID 130855281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).