[(E)-(4-hydroxyphenyl)methylideneamino]urea

C8H9N3O2 — CID 135400267

IUPAC[(E)-(4-hydroxyphenyl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C8H9N3O2/c9-8(13)11-10-5-6-1-3-7(12)4-2-6/h1-5,12H,(H3,9,11,13)/b10-5+
InChIKeyVDPCABXJOAHHDE-BJMVGYQFSA-N
MW179.18 g/mol
LogP0.39
Rot. Bonds2

About [(E)-(4-hydroxyphenyl)methylideneamino]urea

[(E)-(4-hydroxyphenyl)methylideneamino]urea (PubChem CID 135400267) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is [(E)-(4-hydroxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(4-hydroxyphenyl)methylideneamino]urea
PubChem CID135400267
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name[(E)-(4-hydroxyphenyl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C8H9N3O2/c9-8(13)11-10-5-6-1-3-7(12)4-2-6/h1-5,12H,(H3,9,11,13)/b10-5+
InChIKeyVDPCABXJOAHHDE-BJMVGYQFSA-N
XLogP0.39
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 [(E)-(4-hydroxyphenyl)methylideneamino]urea?
The IUPAC name of [(E)-(4-hydroxyphenyl)methylideneamino]urea (CID 135400267) is [(E)-(4-hydroxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(E)-(4-hydroxyphenyl)methylideneamino]urea?
The canonical SMILES for [(E)-(4-hydroxyphenyl)methylideneamino]urea is NC(=O)N/N=C/c1ccc(O)cc1.
What is the InChIKey of [(E)-(4-hydroxyphenyl)methylideneamino]urea?
The InChIKey is VDPCABXJOAHHDE-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H9N3O2/c9-8(13)11-10-5-6-1-3-7(12)4-2-6/h1-5,12H,(H3,9,11,13)/b10-5+.
What are the key properties of [(E)-(4-hydroxyphenyl)methylideneamino]urea?
[(E)-(4-hydroxyphenyl)methylideneamino]urea has a molecular weight of 179.18 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(4-hydroxyphenyl)methylideneamino]urea is sourced from PubChem (CID 135400267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).