1-hydroxy-3-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea

C9H11N3O4 — CID 135447725

IUPAC1-hydroxy-3-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea
SMILESCOc1ccc(/C=N/NC(=O)NO)c(O)c1
InChIInChI=1S/C9H11N3O4/c1-16-7-3-2-6(8(13)4-7)5-10-11-9(14)12-15/h2-5,13,15H,1H3,(H2,11,12,14)/b10-5+
InChIKeyWPGHQLIKQOMOKE-BJMVGYQFSA-N
MW225.20 g/mol
LogP0.42
Rot. Bonds3

About 1-hydroxy-3-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea

1-hydroxy-3-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea (PubChem CID 135447725) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 1-hydroxy-3-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-hydroxy-3-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea
PubChem CID135447725
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name1-hydroxy-3-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea
SMILESCOc1ccc(/C=N/NC(=O)NO)c(O)c1
InChIInChI=1S/C9H11N3O4/c1-16-7-3-2-6(8(13)4-7)5-10-11-9(14)12-15/h2-5,13,15H,1H3,(H2,11,12,14)/b10-5+
InChIKeyWPGHQLIKQOMOKE-BJMVGYQFSA-N
XLogP0.42
TPSA103.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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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Related Compounds

N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine;hydrochloride
CID 16239597
2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1-nitroguanidine
CID 17572441
N'-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]heptanediamide
CID 135886613
1-hydroxy-3-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]urea
CID 135542486
2,4-Dimethoxybenzaldehyde oxime
CID 6871293
[(E)-[(4-methoxyphenyl)methylidene]amino]urea
CID 9574903
2,4-Dihydroxybenzaldehyde semicarbazone
CID 135504430
N'-(2,4-Dihydroxybenzylidene)acetohydrazide
CID 135615765
2,4-Dimethoxybenzaldoxime
CID 231242
Ethyl 2-(2,4-Dihydroxybenzylidene)Hydrazinecarboxylate
CID 135478858
2,6-Dimethoxybenzaldehyde thiocarbamoylhydrazone
CID 9603208
1-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-hydroxyurea
CID 11085860

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea?
The IUPAC name of 1-hydroxy-3-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea (CID 135447725) is 1-hydroxy-3-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-hydroxy-3-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-hydroxy-3-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea is COc1ccc(/C=N/NC(=O)NO)c(O)c1.
What is the InChIKey of 1-hydroxy-3-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea?
The InChIKey is WPGHQLIKQOMOKE-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-16-7-3-2-6(8(13)4-7)5-10-11-9(14)12-15/h2-5,13,15H,1H3,(H2,11,12,14)/b10-5+.
What are the key properties of 1-hydroxy-3-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea?
1-hydroxy-3-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea has a molecular weight of 225.20 g/mol, XLogP of 0.42, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 135447725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).