4-formyl-N-methylfuran-2-carboxamide

C7H7NO3 — CID 57114481

IUPAC4-formyl-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1cc(C=O)co1
InChIInChI=1S/C7H7NO3/c1-8-7(10)6-2-5(3-9)4-11-6/h2-4H,1H3,(H,8,10)
InChIKeyNWJAGLHRHSUFLQ-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.45
Rot. Bonds2

About 4-formyl-N-methylfuran-2-carboxamide

4-formyl-N-methylfuran-2-carboxamide (PubChem CID 57114481) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 4-formyl-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name4-formyl-N-methylfuran-2-carboxamide
PubChem CID57114481
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name4-formyl-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1cc(C=O)co1
InChIInChI=1S/C7H7NO3/c1-8-7(10)6-2-5(3-9)4-11-6/h2-4H,1H3,(H,8,10)
InChIKeyNWJAGLHRHSUFLQ-UHFFFAOYSA-N
XLogP0.45
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-methylfuran-2-carboxamide?
The IUPAC name of 4-formyl-N-methylfuran-2-carboxamide (CID 57114481) is 4-formyl-N-methylfuran-2-carboxamide.
What is the SMILES notation for 4-formyl-N-methylfuran-2-carboxamide?
The canonical SMILES for 4-formyl-N-methylfuran-2-carboxamide is CNC(=O)c1cc(C=O)co1.
What is the InChIKey of 4-formyl-N-methylfuran-2-carboxamide?
The InChIKey is NWJAGLHRHSUFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-8-7(10)6-2-5(3-9)4-11-6/h2-4H,1H3,(H,8,10).
What are the key properties of 4-formyl-N-methylfuran-2-carboxamide?
4-formyl-N-methylfuran-2-carboxamide has a molecular weight of 153.14 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-methylfuran-2-carboxamide is sourced from PubChem (CID 57114481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).