N-[(E)-furan-2-ylmethylideneamino]-2-(3-nitrophenoxy)acetamide

C13H11N3O5 — CID 6876580

IUPACN-[(E)-furan-2-ylmethylideneamino]-2-(3-nitrophenoxy)acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)N/N=C/c1ccco1
InChIInChI=1S/C13H11N3O5/c17-13(15-14-8-12-5-2-6-20-12)9-21-11-4-1-3-10(7-11)16(18)19/h1-8H,9H2,(H,15,17)/b14-8+
InChIKeyAZVWPXMZMFFXIY-RIYZIHGNSA-N
MW289.25 g/mol
LogP1.72
Rot. Bonds6

About N-[(E)-furan-2-ylmethylideneamino]-2-(3-nitrophenoxy)acetamide

N-[(E)-furan-2-ylmethylideneamino]-2-(3-nitrophenoxy)acetamide (PubChem CID 6876580) has the molecular formula C13H11N3O5 and a molecular weight of 289.25 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-2-(3-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-2-(3-nitrophenoxy)acetamide
PubChem CID6876580
Molecular FormulaC13H11N3O5
Molecular Weight289.25 g/mol
Exact Mass289.07
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-2-(3-nitrophenoxy)acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)N/N=C/c1ccco1
InChIInChI=1S/C13H11N3O5/c17-13(15-14-8-12-5-2-6-20-12)9-21-11-4-1-3-10(7-11)16(18)19/h1-8H,9H2,(H,15,17)/b14-8+
InChIKeyAZVWPXMZMFFXIY-RIYZIHGNSA-N
XLogP1.72
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 N-[(E)-furan-2-ylmethylideneamino]-2-(3-nitrophenoxy)acetamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-(3-nitrophenoxy)acetamide (CID 6876580) is N-[(E)-furan-2-ylmethylideneamino]-2-(3-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-2-(3-nitrophenoxy)acetamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-2-(3-nitrophenoxy)acetamide is O=C(COc1cccc([N+](=O)[O-])c1)N/N=C/c1ccco1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-2-(3-nitrophenoxy)acetamide?
The InChIKey is AZVWPXMZMFFXIY-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H11N3O5/c17-13(15-14-8-12-5-2-6-20-12)9-21-11-4-1-3-10(7-11)16(18)19/h1-8H,9H2,(H,15,17)/b14-8+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-2-(3-nitrophenoxy)acetamide?
N-[(E)-furan-2-ylmethylideneamino]-2-(3-nitrophenoxy)acetamide has a molecular weight of 289.25 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-2-(3-nitrophenoxy)acetamide is sourced from PubChem (CID 6876580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).