2,5-dimethylfuran-3-carboxamide

C7H9NO2 — CID 4559414

IUPAC2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(N)=O)c(C)o1
InChIInChI=1S/C7H9NO2/c1-4-3-6(7(8)9)5(2)10-4/h3H,1-2H3,(H2,8,9)
InChIKeyZDQXLTJASRPRTA-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.00
Rot. Bonds1

About 2,5-dimethylfuran-3-carboxamide

2,5-dimethylfuran-3-carboxamide (PubChem CID 4559414) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethylfuran-3-carboxamide
PubChem CID4559414
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(N)=O)c(C)o1
InChIInChI=1S/C7H9NO2/c1-4-3-6(7(8)9)5(2)10-4/h3H,1-2H3,(H2,8,9)
InChIKeyZDQXLTJASRPRTA-UHFFFAOYSA-N
XLogP1.00
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylfuran-3-carboxamide?
The IUPAC name of 2,5-dimethylfuran-3-carboxamide (CID 4559414) is 2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for 2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for 2,5-dimethylfuran-3-carboxamide is Cc1cc(C(N)=O)c(C)o1.
What is the InChIKey of 2,5-dimethylfuran-3-carboxamide?
The InChIKey is ZDQXLTJASRPRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-4-3-6(7(8)9)5(2)10-4/h3H,1-2H3,(H2,8,9).
What are the key properties of 2,5-dimethylfuran-3-carboxamide?
2,5-dimethylfuran-3-carboxamide has a molecular weight of 139.15 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 4559414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).