[(Z)-(3-nitrophenyl)methylideneamino]urea

C8H8N4O3 — CID 5354154

IUPAC[(Z)-(3-nitrophenyl)methylideneamino]urea
SMILESNC(=O)N/N=C\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C8H8N4O3/c9-8(13)11-10-5-6-2-1-3-7(4-6)12(14)15/h1-5H,(H3,9,11,13)/b10-5-
InChIKeyOOGYRKBIKDXALD-YHYXMXQVSA-N
MW208.18 g/mol
LogP0.60
Rot. Bonds3

About [(Z)-(3-nitrophenyl)methylideneamino]urea

[(Z)-(3-nitrophenyl)methylideneamino]urea (PubChem CID 5354154) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is [(Z)-(3-nitrophenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(3-nitrophenyl)methylideneamino]urea
PubChem CID5354154
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC Name[(Z)-(3-nitrophenyl)methylideneamino]urea
SMILESNC(=O)N/N=C\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C8H8N4O3/c9-8(13)11-10-5-6-2-1-3-7(4-6)12(14)15/h1-5H,(H3,9,11,13)/b10-5-
InChIKeyOOGYRKBIKDXALD-YHYXMXQVSA-N
XLogP0.60
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-(3-nitrophenyl)methylideneamino]urea?
The IUPAC name of [(Z)-(3-nitrophenyl)methylideneamino]urea (CID 5354154) is [(Z)-(3-nitrophenyl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(3-nitrophenyl)methylideneamino]urea?
The canonical SMILES for [(Z)-(3-nitrophenyl)methylideneamino]urea is NC(=O)N/N=C\c1cccc([N+](=O)[O-])c1.
What is the InChIKey of [(Z)-(3-nitrophenyl)methylideneamino]urea?
The InChIKey is OOGYRKBIKDXALD-YHYXMXQVSA-N. The full InChI is InChI=1S/C8H8N4O3/c9-8(13)11-10-5-6-2-1-3-7(4-6)12(14)15/h1-5H,(H3,9,11,13)/b10-5-.
What are the key properties of [(Z)-(3-nitrophenyl)methylideneamino]urea?
[(Z)-(3-nitrophenyl)methylideneamino]urea has a molecular weight of 208.18 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(3-nitrophenyl)methylideneamino]urea is sourced from PubChem (CID 5354154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).