5-methylfuran-2-carboxamide

C6H7NO2 — CID 5166334

IUPAC5-methylfuran-2-carboxamide
SMILESCc1ccc(C(N)=O)o1
InChIInChI=1S/C6H7NO2/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H2,7,8)
InChIKeyHTLIXYXARPLOIU-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.69
Rot. Bonds1

About 5-methylfuran-2-carboxamide

5-methylfuran-2-carboxamide (PubChem CID 5166334) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 5-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-methylfuran-2-carboxamide
PubChem CID5166334
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name5-methylfuran-2-carboxamide
SMILESCc1ccc(C(N)=O)o1
InChIInChI=1S/C6H7NO2/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H2,7,8)
InChIKeyHTLIXYXARPLOIU-UHFFFAOYSA-N
XLogP0.69
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylfuran-2-carboxamide?
The IUPAC name of 5-methylfuran-2-carboxamide (CID 5166334) is 5-methylfuran-2-carboxamide.
What is the SMILES notation for 5-methylfuran-2-carboxamide?
The canonical SMILES for 5-methylfuran-2-carboxamide is Cc1ccc(C(N)=O)o1.
What is the InChIKey of 5-methylfuran-2-carboxamide?
The InChIKey is HTLIXYXARPLOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H2,7,8).
What are the key properties of 5-methylfuran-2-carboxamide?
5-methylfuran-2-carboxamide has a molecular weight of 125.13 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylfuran-2-carboxamide is sourced from PubChem (CID 5166334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).