[(E)-(2,4-dihydroxyphenyl)methylideneamino]urea

C8H9N3O3 — CID 135504430

IUPAC[(E)-(2,4-dihydroxyphenyl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C8H9N3O3/c9-8(14)11-10-4-5-1-2-6(12)3-7(5)13/h1-4,12-13H,(H3,9,11,14)/b10-4+
InChIKeyLDERFBFHRWDAHJ-ONNFQVAWSA-N
MW195.18 g/mol
LogP0.10
Rot. Bonds2

About [(E)-(2,4-dihydroxyphenyl)methylideneamino]urea

[(E)-(2,4-dihydroxyphenyl)methylideneamino]urea (PubChem CID 135504430) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is [(E)-(2,4-dihydroxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(2,4-dihydroxyphenyl)methylideneamino]urea
PubChem CID135504430
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name[(E)-(2,4-dihydroxyphenyl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C8H9N3O3/c9-8(14)11-10-4-5-1-2-6(12)3-7(5)13/h1-4,12-13H,(H3,9,11,14)/b10-4+
InChIKeyLDERFBFHRWDAHJ-ONNFQVAWSA-N
XLogP0.10
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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)-(2,4-dihydroxyphenyl)methylideneamino]urea?
The IUPAC name of [(E)-(2,4-dihydroxyphenyl)methylideneamino]urea (CID 135504430) is [(E)-(2,4-dihydroxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(E)-(2,4-dihydroxyphenyl)methylideneamino]urea?
The canonical SMILES for [(E)-(2,4-dihydroxyphenyl)methylideneamino]urea is NC(=O)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of [(E)-(2,4-dihydroxyphenyl)methylideneamino]urea?
The InChIKey is LDERFBFHRWDAHJ-ONNFQVAWSA-N. The full InChI is InChI=1S/C8H9N3O3/c9-8(14)11-10-4-5-1-2-6(12)3-7(5)13/h1-4,12-13H,(H3,9,11,14)/b10-4+.
What are the key properties of [(E)-(2,4-dihydroxyphenyl)methylideneamino]urea?
[(E)-(2,4-dihydroxyphenyl)methylideneamino]urea has a molecular weight of 195.18 g/mol, XLogP of 0.10, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2,4-dihydroxyphenyl)methylideneamino]urea is sourced from PubChem (CID 135504430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).