1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-hydroxyurea

C8H9N3O4 — CID 135404689

IUPAC1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-hydroxyurea
SMILESO=C(NO)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C8H9N3O4/c12-6-2-1-5(7(13)3-6)4-9-10-8(14)11-15/h1-4,12-13,15H,(H2,10,11,14)/b9-4+
InChIKeyRADKSMRRHBIZHR-RUDMXATFSA-N
MW211.18 g/mol
LogP0.12
Rot. Bonds2

About 1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-hydroxyurea

1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-hydroxyurea (PubChem CID 135404689) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is 1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-hydroxyurea.

Molecular Properties

Compound Name1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-hydroxyurea
PubChem CID135404689
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-hydroxyurea
SMILESO=C(NO)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C8H9N3O4/c12-6-2-1-5(7(13)3-6)4-9-10-8(14)11-15/h1-4,12-13,15H,(H2,10,11,14)/b9-4+
InChIKeyRADKSMRRHBIZHR-RUDMXATFSA-N
XLogP0.12
TPSA114.18 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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': 'hydroxamic_acid', '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 1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-hydroxyurea?
The IUPAC name of 1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-hydroxyurea (CID 135404689) is 1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-hydroxyurea.
What is the SMILES notation for 1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-hydroxyurea?
The canonical SMILES for 1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-hydroxyurea is O=C(NO)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of 1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-hydroxyurea?
The InChIKey is RADKSMRRHBIZHR-RUDMXATFSA-N. The full InChI is InChI=1S/C8H9N3O4/c12-6-2-1-5(7(13)3-6)4-9-10-8(14)11-15/h1-4,12-13,15H,(H2,10,11,14)/b9-4+.
What are the key properties of 1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-hydroxyurea?
1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-hydroxyurea has a molecular weight of 211.18 g/mol, XLogP of 0.12, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-hydroxyurea is sourced from PubChem (CID 135404689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).