5-nitro-N-propylfuran-2-carboxamide

C8H10N2O4 — CID 3312707

IUPAC5-nitro-N-propylfuran-2-carboxamide
SMILESCCCNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C8H10N2O4/c1-2-5-9-8(11)6-3-4-7(14-6)10(12)13/h3-4H,2,5H2,1H3,(H,9,11)
InChIKeyFGLJTRFNCUWYNO-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.33
Rot. Bonds4

About 5-nitro-N-propylfuran-2-carboxamide

5-nitro-N-propylfuran-2-carboxamide (PubChem CID 3312707) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 5-nitro-N-propylfuran-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-propylfuran-2-carboxamide
PubChem CID3312707
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name5-nitro-N-propylfuran-2-carboxamide
SMILESCCCNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C8H10N2O4/c1-2-5-9-8(11)6-3-4-7(14-6)10(12)13/h3-4H,2,5H2,1H3,(H,9,11)
InChIKeyFGLJTRFNCUWYNO-UHFFFAOYSA-N
XLogP1.33
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-propylfuran-2-carboxamide?
The IUPAC name of 5-nitro-N-propylfuran-2-carboxamide (CID 3312707) is 5-nitro-N-propylfuran-2-carboxamide.
What is the SMILES notation for 5-nitro-N-propylfuran-2-carboxamide?
The canonical SMILES for 5-nitro-N-propylfuran-2-carboxamide is CCCNC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-propylfuran-2-carboxamide?
The InChIKey is FGLJTRFNCUWYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-2-5-9-8(11)6-3-4-7(14-6)10(12)13/h3-4H,2,5H2,1H3,(H,9,11).
What are the key properties of 5-nitro-N-propylfuran-2-carboxamide?
5-nitro-N-propylfuran-2-carboxamide has a molecular weight of 198.18 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-propylfuran-2-carboxamide is sourced from PubChem (CID 3312707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).