2-cyano-N-[(E)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide

C9H8N4O4 — CID 5331214

IUPAC2-cyano-N-[(E)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CC#N)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C9H8N4O4/c1-6(11-12-8(14)4-5-10)7-2-3-9(17-7)13(15)16/h2-3H,4H2,1H3,(H,12,14)/b11-6+
InChIKeyAKTXJDOOHAHIOP-IZZDOVSWSA-N
MW236.19 g/mol
LogP0.94
Rot. Bonds4

About 2-cyano-N-[(E)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide

2-cyano-N-[(E)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide (PubChem CID 5331214) has the molecular formula C9H8N4O4 and a molecular weight of 236.19 g/mol. Its IUPAC name is 2-cyano-N-[(E)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(E)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide
PubChem CID5331214
Molecular FormulaC9H8N4O4
Molecular Weight236.19 g/mol
Exact Mass236.05
IUPAC Name2-cyano-N-[(E)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CC#N)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C9H8N4O4/c1-6(11-12-8(14)4-5-10)7-2-3-9(17-7)13(15)16/h2-3H,4H2,1H3,(H,12,14)/b11-6+
InChIKeyAKTXJDOOHAHIOP-IZZDOVSWSA-N
XLogP0.94
TPSA121.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 50.94
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'}

Analyze 2-cyano-N-[(E)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(E)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[(E)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide (CID 5331214) is 2-cyano-N-[(E)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[(E)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[(E)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide is C/C(=N\NC(=O)CC#N)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-cyano-N-[(E)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide?
The InChIKey is AKTXJDOOHAHIOP-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H8N4O4/c1-6(11-12-8(14)4-5-10)7-2-3-9(17-7)13(15)16/h2-3H,4H2,1H3,(H,12,14)/b11-6+.
What are the key properties of 2-cyano-N-[(E)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide?
2-cyano-N-[(E)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide has a molecular weight of 236.19 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(E)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide is sourced from PubChem (CID 5331214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).