3-(5-nitrofuran-2-yl)prop-2-enamide

C7H6N2O4 — CID 12828

IUPAC3-(5-nitrofuran-2-yl)prop-2-enamide
SMILESNC(=O)C=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H6N2O4/c8-6(10)3-1-5-2-4-7(13-5)9(11)12/h1-4H,(H2,8,10)
InChIKeyIZFMIIGMIPRYKL-UHFFFAOYSA-N
MW182.14 g/mol
LogP0.69
Rot. Bonds3

About 3-(5-nitrofuran-2-yl)prop-2-enamide

3-(5-nitrofuran-2-yl)prop-2-enamide (PubChem CID 12828) has the molecular formula C7H6N2O4 and a molecular weight of 182.14 g/mol. Its IUPAC name is 3-(5-nitrofuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(5-nitrofuran-2-yl)prop-2-enamide
PubChem CID12828
Molecular FormulaC7H6N2O4
Molecular Weight182.14 g/mol
Exact Mass182.03
IUPAC Name3-(5-nitrofuran-2-yl)prop-2-enamide
SMILESNC(=O)C=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H6N2O4/c8-6(10)3-1-5-2-4-7(13-5)9(11)12/h1-4H,(H2,8,10)
InChIKeyIZFMIIGMIPRYKL-UHFFFAOYSA-N
XLogP0.69
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.69
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 3-(5-nitrofuran-2-yl)prop-2-enamide?
The IUPAC name of 3-(5-nitrofuran-2-yl)prop-2-enamide (CID 12828) is 3-(5-nitrofuran-2-yl)prop-2-enamide.
What is the SMILES notation for 3-(5-nitrofuran-2-yl)prop-2-enamide?
The canonical SMILES for 3-(5-nitrofuran-2-yl)prop-2-enamide is NC(=O)C=Cc1ccc([N+](=O)[O-])o1.
What is the InChIKey of 3-(5-nitrofuran-2-yl)prop-2-enamide?
The InChIKey is IZFMIIGMIPRYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O4/c8-6(10)3-1-5-2-4-7(13-5)9(11)12/h1-4H,(H2,8,10).
What are the key properties of 3-(5-nitrofuran-2-yl)prop-2-enamide?
3-(5-nitrofuran-2-yl)prop-2-enamide has a molecular weight of 182.14 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-nitrofuran-2-yl)prop-2-enamide is sourced from PubChem (CID 12828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).