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

C11H8N2O5 — CID 5280707

IUPAC(Z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide
SMILESNC(=O)/C(=C\c1ccc([N+](=O)[O-])o1)c1ccco1
InChIInChI=1S/C11H8N2O5/c12-11(14)8(9-2-1-5-17-9)6-7-3-4-10(18-7)13(15)16/h1-6H,(H2,12,14)/b8-6-
InChIKeyLYAHJFZLDZDIOH-VURMDHGXSA-N
MW248.19 g/mol
LogP1.81
Rot. Bonds4

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

(Z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide (PubChem CID 5280707) has the molecular formula C11H8N2O5 and a molecular weight of 248.19 g/mol. Its IUPAC name is (Z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide
PubChem CID5280707
Molecular FormulaC11H8N2O5
Molecular Weight248.19 g/mol
Exact Mass248.04
IUPAC Name(Z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide
SMILESNC(=O)/C(=C\c1ccc([N+](=O)[O-])o1)c1ccco1
InChIInChI=1S/C11H8N2O5/c12-11(14)8(9-2-1-5-17-9)6-7-3-4-10(18-7)13(15)16/h1-6H,(H2,12,14)/b8-6-
InChIKeyLYAHJFZLDZDIOH-VURMDHGXSA-N
XLogP1.81
TPSA112.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (Z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide?
The IUPAC name of (Z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide (CID 5280707) is (Z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide is NC(=O)/C(=C\c1ccc([N+](=O)[O-])o1)c1ccco1.
What is the InChIKey of (Z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide?
The InChIKey is LYAHJFZLDZDIOH-VURMDHGXSA-N. The full InChI is InChI=1S/C11H8N2O5/c12-11(14)8(9-2-1-5-17-9)6-7-3-4-10(18-7)13(15)16/h1-6H,(H2,12,14)/b8-6-.
What are the key properties of (Z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide?
(Z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide has a molecular weight of 248.19 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide is sourced from PubChem (CID 5280707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).