(E)-3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-enamide

C10H12N2O4 — CID 6433308

IUPAC(E)-3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)/C=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H12N2O4/c1-7(2)11-9(13)5-3-8-4-6-10(16-8)12(14)15/h3-7H,1-2H3,(H,11,13)/b5-3+
InChIKeyAPOAEUBPCAZTDV-HWKANZROSA-N
MW224.22 g/mol
LogP1.73
Rot. Bonds4

About (E)-3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-enamide

(E)-3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-enamide (PubChem CID 6433308) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is (E)-3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-enamide
PubChem CID6433308
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name(E)-3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)/C=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H12N2O4/c1-7(2)11-9(13)5-3-8-4-6-10(16-8)12(14)15/h3-7H,1-2H3,(H,11,13)/b5-3+
InChIKeyAPOAEUBPCAZTDV-HWKANZROSA-N
XLogP1.73
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'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 (E)-3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-enamide?
The IUPAC name of (E)-3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-enamide (CID 6433308) is (E)-3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (E)-3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-enamide is CC(C)NC(=O)/C=C/c1ccc([N+](=O)[O-])o1.
What is the InChIKey of (E)-3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-enamide?
The InChIKey is APOAEUBPCAZTDV-HWKANZROSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-7(2)11-9(13)5-3-8-4-6-10(16-8)12(14)15/h3-7H,1-2H3,(H,11,13)/b5-3+.
What are the key properties of (E)-3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-enamide?
(E)-3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-enamide has a molecular weight of 224.22 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-nitrofuran-2-yl)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 6433308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).