(E)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]non-2-enamide

C14H19N3O4 — CID 24840585

IUPAC(E)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]non-2-enamide
SMILESCCCCCC/C=C/C(=O)N/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H19N3O4/c1-2-3-4-5-6-7-8-13(18)16-15-11-12-9-10-14(21-12)17(19)20/h7-11H,2-6H2,1H3,(H,16,18)/b8-7+,15-11+
InChIKeyAZJPXKAPSIEJDK-XHBXSBNISA-N
MW293.32 g/mol
LogP3.16
Rot. Bonds9

About (E)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]non-2-enamide

(E)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]non-2-enamide (PubChem CID 24840585) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is (E)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]non-2-enamide.

Molecular Properties

Compound Name(E)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]non-2-enamide
PubChem CID24840585
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name(E)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]non-2-enamide
SMILESCCCCCC/C=C/C(=O)N/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H19N3O4/c1-2-3-4-5-6-7-8-13(18)16-15-11-12-9-10-14(21-12)17(19)20/h7-11H,2-6H2,1H3,(H,16,18)/b8-7+,15-11+
InChIKeyAZJPXKAPSIEJDK-XHBXSBNISA-N
XLogP3.16
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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'}

Analyze (E)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]non-2-enamide with MolForge

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Related Compounds

4-butoxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 90675804
butyl N-[[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamoylamino]carbamate
CID 134124807
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
tert-butyl N-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 6036448
4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 769775
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 6433366
3-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 5404081
N-[2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6893438
4-tert-butyl-N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6382765
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 6322955
N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide
CID 913455

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]non-2-enamide?
The IUPAC name of (E)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]non-2-enamide (CID 24840585) is (E)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]non-2-enamide.
What is the SMILES notation for (E)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]non-2-enamide?
The canonical SMILES for (E)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]non-2-enamide is CCCCCC/C=C/C(=O)N/N=C/c1ccc([N+](=O)[O-])o1.
What is the InChIKey of (E)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]non-2-enamide?
The InChIKey is AZJPXKAPSIEJDK-XHBXSBNISA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-3-4-5-6-7-8-13(18)16-15-11-12-9-10-14(21-12)17(19)20/h7-11H,2-6H2,1H3,(H,16,18)/b8-7+,15-11+.
What are the key properties of (E)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]non-2-enamide?
(E)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]non-2-enamide has a molecular weight of 293.32 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]non-2-enamide is sourced from PubChem (CID 24840585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).