[(E)-(5-nitrofuran-2-yl)methylideneamino]urea

C6H6N4O4 — CID 5447130

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IUPAC[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+
InChIKeyIAIWVQXQOWNYOU-FPYGCLRLSA-N
MW198.14 g/mol
LogP0.19
Rot. Bonds3

About [(E)-(5-nitrofuran-2-yl)methylideneamino]urea

[(E)-(5-nitrofuran-2-yl)methylideneamino]urea (PubChem CID 5447130) has the molecular formula C6H6N4O4 and a molecular weight of 198.14 g/mol. Its IUPAC name is [(E)-(5-nitrofuran-2-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
PubChem CID5447130
Molecular FormulaC6H6N4O4
Molecular Weight198.14 g/mol
Exact Mass198.04
IUPAC Name[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+
InChIKeyIAIWVQXQOWNYOU-FPYGCLRLSA-N
XLogP0.19
TPSA123.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 50.19
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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Related Compounds

Nitrofurantoin
CID 6604200
Furantoin
CID 4509
Nifuroxime
CID 5373493
Nifuradene
CID 9568055
Nihydrazone
CID 9561033
2-[(5-Nitro-2-furanyl)methylene]-hydrazinecarboxamide
CID 1839
Nidroxyzone
CID 9570072
Nifurpipone
CID 9554232
5-Nitro-2-furaldoxime
CID 6478035
Hydantoin, 1-(5-nitro-furfurylideneamino)-
CID 5353830
N-(5-Nitrofurfurylidenamino)oxamide
CID 6165447
2-Furancarboxaldehyde, 5-nitro-, ((5-nitro-2-furanyl)methylene)hydrazone
CID 6897752

Frequently Asked Questions

What is the IUPAC name of [(E)-(5-nitrofuran-2-yl)methylideneamino]urea?
The IUPAC name of [(E)-(5-nitrofuran-2-yl)methylideneamino]urea (CID 5447130) is [(E)-(5-nitrofuran-2-yl)methylideneamino]urea.
What is the SMILES notation for [(E)-(5-nitrofuran-2-yl)methylideneamino]urea?
The canonical SMILES for [(E)-(5-nitrofuran-2-yl)methylideneamino]urea is NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1.
What is the InChIKey of [(E)-(5-nitrofuran-2-yl)methylideneamino]urea?
The InChIKey is IAIWVQXQOWNYOU-FPYGCLRLSA-N. The full InChI is InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+.
What are the key properties of [(E)-(5-nitrofuran-2-yl)methylideneamino]urea?
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea has a molecular weight of 198.14 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(5-nitrofuran-2-yl)methylideneamino]urea is sourced from PubChem (CID 5447130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).