[(Z)-[2-hydroxy-1-(5-nitrofuran-2-yl)ethylidene]amino]urea

C7H8N4O5 — CID 6536920

IUPAC[(Z)-[2-hydroxy-1-(5-nitrofuran-2-yl)ethylidene]amino]urea
SMILESNC(=O)N/N=C(/CO)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H8N4O5/c8-7(13)10-9-4(3-12)5-1-2-6(16-5)11(14)15/h1-2,12H,3H2,(H3,8,10,13)/b9-4-
InChIKeyWQKNUJXZXQMAKZ-WTKPLQERSA-N
MW228.16 g/mol
LogP-0.45
Rot. Bonds4

About [(Z)-[2-hydroxy-1-(5-nitrofuran-2-yl)ethylidene]amino]urea

[(Z)-[2-hydroxy-1-(5-nitrofuran-2-yl)ethylidene]amino]urea (PubChem CID 6536920) has the molecular formula C7H8N4O5 and a molecular weight of 228.16 g/mol. Its IUPAC name is [(Z)-[2-hydroxy-1-(5-nitrofuran-2-yl)ethylidene]amino]urea.

Molecular Properties

Compound Name[(Z)-[2-hydroxy-1-(5-nitrofuran-2-yl)ethylidene]amino]urea
PubChem CID6536920
Molecular FormulaC7H8N4O5
Molecular Weight228.16 g/mol
Exact Mass228.05
IUPAC Name[(Z)-[2-hydroxy-1-(5-nitrofuran-2-yl)ethylidene]amino]urea
SMILESNC(=O)N/N=C(/CO)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H8N4O5/c8-7(13)10-9-4(3-12)5-1-2-6(16-5)11(14)15/h1-2,12H,3H2,(H3,8,10,13)/b9-4-
InChIKeyWQKNUJXZXQMAKZ-WTKPLQERSA-N
XLogP-0.45
TPSA143.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.16
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
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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Related Compounds

2-bromo-1-(5-nitrofuran-2-yl)ethanone
CID 11241786
ethyl N-[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]carbamate
CID 6372599
ethyl N-[1-(5-nitrofuran-2-yl)ethylideneamino]carbamate
CID 3633042
1-(2-hydroxyethyl)-3-[(Z)-[1-(5-nitrofuran-2-yl)-3-piperidin-1-ylpropylidene]amino]urea
CID 5474139
5-nitrofuran-2-carboxylic acid;hydrochloride
CID 67281310
[3-(5-nitrofuran-2-carbonyl)oxy-2-oxopropyl] 5-nitrofuran-2-carboxylate
CID 2406638
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+)
CID 71731103
2-cyano-N-[(E)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide
CID 5331214
5-nitro-N-(2-phenylphenyl)furan-2-carboxamide
CID 23829547
2-[(5-nitrofuran-2-carbonyl)amino]acetic acid
CID 2079408
5-nitro-N-propan-2-ylfuran-2-carbohydrazonoyl bromide
CID 173450252

Frequently Asked Questions

What is the IUPAC name of [(Z)-[2-hydroxy-1-(5-nitrofuran-2-yl)ethylidene]amino]urea?
The IUPAC name of [(Z)-[2-hydroxy-1-(5-nitrofuran-2-yl)ethylidene]amino]urea (CID 6536920) is [(Z)-[2-hydroxy-1-(5-nitrofuran-2-yl)ethylidene]amino]urea.
What is the SMILES notation for [(Z)-[2-hydroxy-1-(5-nitrofuran-2-yl)ethylidene]amino]urea?
The canonical SMILES for [(Z)-[2-hydroxy-1-(5-nitrofuran-2-yl)ethylidene]amino]urea is NC(=O)N/N=C(/CO)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of [(Z)-[2-hydroxy-1-(5-nitrofuran-2-yl)ethylidene]amino]urea?
The InChIKey is WQKNUJXZXQMAKZ-WTKPLQERSA-N. The full InChI is InChI=1S/C7H8N4O5/c8-7(13)10-9-4(3-12)5-1-2-6(16-5)11(14)15/h1-2,12H,3H2,(H3,8,10,13)/b9-4-.
What are the key properties of [(Z)-[2-hydroxy-1-(5-nitrofuran-2-yl)ethylidene]amino]urea?
[(Z)-[2-hydroxy-1-(5-nitrofuran-2-yl)ethylidene]amino]urea has a molecular weight of 228.16 g/mol, XLogP of -0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[2-hydroxy-1-(5-nitrofuran-2-yl)ethylidene]amino]urea is sourced from PubChem (CID 6536920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).