(Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide

C14H9N3O4 — CID 718081

IUPAC(Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
SMILESN#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(N)=O
InChIInChI=1S/C14H9N3O4/c15-8-9(14(16)18)7-10-5-6-13(21-10)11-3-1-2-4-12(11)17(19)20/h1-7H,(H2,16,18)/b9-7-
InChIKeyIATDFYNGRLLOOX-CLFYSBASSA-N
MW283.24 g/mol
LogP2.25
Rot. Bonds4

About (Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide

(Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide (PubChem CID 718081) has the molecular formula C14H9N3O4 and a molecular weight of 283.24 g/mol. Its IUPAC name is (Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
PubChem CID718081
Molecular FormulaC14H9N3O4
Molecular Weight283.24 g/mol
Exact Mass283.06
IUPAC Name(Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
SMILESN#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(N)=O
InChIInChI=1S/C14H9N3O4/c15-8-9(14(16)18)7-10-5-6-13(21-10)11-3-1-2-4-12(11)17(19)20/h1-7H,(H2,16,18)/b9-7-
InChIKeyIATDFYNGRLLOOX-CLFYSBASSA-N
XLogP2.25
TPSA123.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'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-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide (CID 718081) is (Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide is N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(N)=O.
What is the InChIKey of (Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is IATDFYNGRLLOOX-CLFYSBASSA-N. The full InChI is InChI=1S/C14H9N3O4/c15-8-9(14(16)18)7-10-5-6-13(21-10)11-3-1-2-4-12(11)17(19)20/h1-7H,(H2,16,18)/b9-7-.
What are the key properties of (Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide?
(Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 283.24 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 718081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).