[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]urea

C7H8N4O4 — CID 5354326

IUPAC[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]urea
SMILESC/C(=N/NC(N)=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H8N4O4/c1-4(9-10-7(8)12)5-2-3-6(15-5)11(13)14/h2-3H,1H3,(H3,8,10,12)/b9-4-
InChIKeyXVCZDTHDBDFRLG-WTKPLQERSA-N
MW212.17 g/mol
LogP0.58
Rot. Bonds3

About [(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]urea

[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]urea (PubChem CID 5354326) has the molecular formula C7H8N4O4 and a molecular weight of 212.17 g/mol. Its IUPAC name is [(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]urea.

Molecular Properties

Compound Name[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]urea
PubChem CID5354326
Molecular FormulaC7H8N4O4
Molecular Weight212.17 g/mol
Exact Mass212.05
IUPAC Name[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]urea
SMILESC/C(=N/NC(N)=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H8N4O4/c1-4(9-10-7(8)12)5-2-3-6(15-5)11(13)14/h2-3H,1H3,(H3,8,10,12)/b9-4-
InChIKeyXVCZDTHDBDFRLG-WTKPLQERSA-N
XLogP0.58
TPSA123.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]urea?
The IUPAC name of [(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]urea (CID 5354326) is [(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]urea.
What is the SMILES notation for [(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]urea?
The canonical SMILES for [(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]urea is C/C(=N/NC(N)=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of [(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]urea?
The InChIKey is XVCZDTHDBDFRLG-WTKPLQERSA-N. The full InChI is InChI=1S/C7H8N4O4/c1-4(9-10-7(8)12)5-2-3-6(15-5)11(13)14/h2-3H,1H3,(H3,8,10,12)/b9-4-.
What are the key properties of [(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]urea?
[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]urea has a molecular weight of 212.17 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]urea is sourced from PubChem (CID 5354326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).