1-hydroxy-3-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea

C10H13N3O5 — CID 135407712

IUPAC1-hydroxy-3-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
SMILESCOc1cc(O)c(/C=N/NC(=O)NO)c(OC)c1
InChIInChI=1S/C10H13N3O5/c1-17-6-3-8(14)7(9(4-6)18-2)5-11-12-10(15)13-16/h3-5,14,16H,1-2H3,(H2,12,13,15)/b11-5+
InChIKeyPFUSMHHOQWRWAP-VZUCSPMQSA-N
MW255.23 g/mol
LogP0.43
Rot. Bonds4

About 1-hydroxy-3-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea

1-hydroxy-3-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea (PubChem CID 135407712) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 1-hydroxy-3-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-hydroxy-3-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
PubChem CID135407712
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name1-hydroxy-3-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
SMILESCOc1cc(O)c(/C=N/NC(=O)NO)c(OC)c1
InChIInChI=1S/C10H13N3O5/c1-17-6-3-8(14)7(9(4-6)18-2)5-11-12-10(15)13-16/h3-5,14,16H,1-2H3,(H2,12,13,15)/b11-5+
InChIKeyPFUSMHHOQWRWAP-VZUCSPMQSA-N
XLogP0.43
TPSA112.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1-nitroguanidine
CID 17572441
N'-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]heptanediamide
CID 135886613
2,4-Dihydroxybenzaldehyde semicarbazone
CID 135504430
Ethyl 2-(2,4-Dihydroxybenzylidene)Hydrazinecarboxylate
CID 135478858
2,6-Dimethoxybenzaldehyde thiocarbamoylhydrazone
CID 9603208
1-hydroxy-3-[(E)-(4-methoxyphenyl)methylideneamino]urea
CID 11790453
1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-hydroxyurea
CID 135404689
1-hydroxy-3-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea
CID 135447725
(2E)-2-(3,4,5-trimethoxybenzylidene)hydrazinecarboxamide
CID 6898668
1,3-Bis-(C 2,4-dihydroxy Phenyl methyl Imino)-urea
CID 135444590
N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 135988210
{[(1E)-2-(2,4-dimethoxyphenyl)-1-azavinyl]amino}aminomethane-1-thione
CID 7695076

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea?
The IUPAC name of 1-hydroxy-3-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea (CID 135407712) is 1-hydroxy-3-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-hydroxy-3-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-hydroxy-3-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea is COc1cc(O)c(/C=N/NC(=O)NO)c(OC)c1.
What is the InChIKey of 1-hydroxy-3-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea?
The InChIKey is PFUSMHHOQWRWAP-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-17-6-3-8(14)7(9(4-6)18-2)5-11-12-10(15)13-16/h3-5,14,16H,1-2H3,(H2,12,13,15)/b11-5+.
What are the key properties of 1-hydroxy-3-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea?
1-hydroxy-3-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea has a molecular weight of 255.23 g/mol, XLogP of 0.43, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 135407712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).