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

C9H11N3O3 — CID 139084762

IUPAC[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea
SMILESCOc1ccc(/C=N/NC(N)=O)c(O)c1
InChIInChI=1S/C9H11N3O3/c1-15-7-3-2-6(8(13)4-7)5-11-12-9(10)14/h2-5,13H,1H3,(H3,10,12,14)/b11-5+
InChIKeyPQELBXNHKSPBNU-VZUCSPMQSA-N
MW209.21 g/mol
LogP0.40
Rot. Bonds3

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

[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea (PubChem CID 139084762) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is [(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea
PubChem CID139084762
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea
SMILESCOc1ccc(/C=N/NC(N)=O)c(O)c1
InChIInChI=1S/C9H11N3O3/c1-15-7-3-2-6(8(13)4-7)5-11-12-9(10)14/h2-5,13H,1H3,(H3,10,12,14)/b11-5+
InChIKeyPQELBXNHKSPBNU-VZUCSPMQSA-N
XLogP0.40
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

2,4-Dihydroxybenzaldehyde thiosemicarbazone
CID 135480747
2-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]guanidine
CID 135412665
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine;hydrochloride
CID 16239597
2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1-nitroguanidine
CID 17572441
1-[1-(2-Hydroxy-4-methoxyphenyl)ethylideneamino]-3-methylthiourea
CID 3005305
[(E)-[(4-methoxyphenyl)methylidene]amino]urea
CID 9574903
2,4-Dihydroxybenzaldehyde semicarbazone
CID 135504430
N'-(2,4-Dihydroxybenzylidene)acetohydrazide
CID 135615765
Ethyl 2-(2,4-Dihydroxybenzylidene)Hydrazinecarboxylate
CID 135478858
1-[(E)-1-(2-hydroxy-4-methoxy-phenyl)ethylideneamino]-3-methyl-thiourea
CID 135493995
2,6-Dimethoxybenzaldehyde thiocarbamoylhydrazone
CID 9603208
1-hydroxy-3-[(E)-(4-methoxyphenyl)methylideneamino]urea
CID 11790453

Frequently Asked Questions

What is the IUPAC name of [(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea?
The IUPAC name of [(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea (CID 139084762) is [(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea?
The canonical SMILES for [(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea is COc1ccc(/C=N/NC(N)=O)c(O)c1.
What is the InChIKey of [(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea?
The InChIKey is PQELBXNHKSPBNU-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-15-7-3-2-6(8(13)4-7)5-11-12-9(10)14/h2-5,13H,1H3,(H3,10,12,14)/b11-5+.
What are the key properties of [(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea?
[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea has a molecular weight of 209.21 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 139084762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).