5-methyl-N-prop-2-ynoxyfuran-2-carboxamide

C9H9NO3 — CID 130605440

IUPAC5-methyl-N-prop-2-ynoxyfuran-2-carboxamide
SMILESC#CCONC(=O)c1ccc(C)o1
InChIInChI=1S/C9H9NO3/c1-3-6-12-10-9(11)8-5-4-7(2)13-8/h1,4-5H,6H2,2H3,(H,10,11)
InChIKeyIGDYEEQPZKJGMU-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.88
Rot. Bonds3

About 5-methyl-N-prop-2-ynoxyfuran-2-carboxamide

5-methyl-N-prop-2-ynoxyfuran-2-carboxamide (PubChem CID 130605440) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 5-methyl-N-prop-2-ynoxyfuran-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-prop-2-ynoxyfuran-2-carboxamide
PubChem CID130605440
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name5-methyl-N-prop-2-ynoxyfuran-2-carboxamide
SMILESC#CCONC(=O)c1ccc(C)o1
InChIInChI=1S/C9H9NO3/c1-3-6-12-10-9(11)8-5-4-7(2)13-8/h1,4-5H,6H2,2H3,(H,10,11)
InChIKeyIGDYEEQPZKJGMU-UHFFFAOYSA-N
XLogP0.88
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-prop-2-ynoxyfuran-2-carboxamide?
The IUPAC name of 5-methyl-N-prop-2-ynoxyfuran-2-carboxamide (CID 130605440) is 5-methyl-N-prop-2-ynoxyfuran-2-carboxamide.
What is the SMILES notation for 5-methyl-N-prop-2-ynoxyfuran-2-carboxamide?
The canonical SMILES for 5-methyl-N-prop-2-ynoxyfuran-2-carboxamide is C#CCONC(=O)c1ccc(C)o1.
What is the InChIKey of 5-methyl-N-prop-2-ynoxyfuran-2-carboxamide?
The InChIKey is IGDYEEQPZKJGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-3-6-12-10-9(11)8-5-4-7(2)13-8/h1,4-5H,6H2,2H3,(H,10,11).
What are the key properties of 5-methyl-N-prop-2-ynoxyfuran-2-carboxamide?
5-methyl-N-prop-2-ynoxyfuran-2-carboxamide has a molecular weight of 179.17 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-prop-2-ynoxyfuran-2-carboxamide is sourced from PubChem (CID 130605440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).