[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea

C9H11N3O3 — CID 135666337

IUPAC[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
SMILESCOc1cccc(/C=N\NC(N)=O)c1O
InChIInChI=1S/C9H11N3O3/c1-15-7-4-2-3-6(8(7)13)5-11-12-9(10)14/h2-5,13H,1H3,(H3,10,12,14)/b11-5-
InChIKeyAKOBNBQXPXQGHZ-WZUFQYTHSA-N
MW209.21 g/mol
LogP0.40
Rot. Bonds3

About [(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea

[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea (PubChem CID 135666337) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is [(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
PubChem CID135666337
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
SMILESCOc1cccc(/C=N\NC(N)=O)c1O
InChIInChI=1S/C9H11N3O3/c1-15-7-4-2-3-6(8(7)13)5-11-12-9(10)14/h2-5,13H,1H3,(H3,10,12,14)/b11-5-
InChIKeyAKOBNBQXPXQGHZ-WZUFQYTHSA-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'}

Analyze [(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cobalt;[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea;pyridine;hydrate
CID 135484834
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate
CID 135458848
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;palladium(2+);hydroxide
CID 50911188
(E)-(2-hydroxy-3-methoxyphenyl)methylideneurea
CID 137275710
2-(3,4-dimethoxyphenyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135579478
4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749454
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclobutanecarboxamide
CID 923591
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]hexanamide
CID 135458849
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 135532188
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide
CID 135533696

Frequently Asked Questions

What is the IUPAC name of [(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea?
The IUPAC name of [(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea (CID 135666337) is [(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea?
The canonical SMILES for [(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea is COc1cccc(/C=N\NC(N)=O)c1O.
What is the InChIKey of [(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea?
The InChIKey is AKOBNBQXPXQGHZ-WZUFQYTHSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-15-7-4-2-3-6(8(7)13)5-11-12-9(10)14/h2-5,13H,1H3,(H3,10,12,14)/b11-5-.
What are the key properties of [(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea?
[(Z)-(2-hydroxy-3-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 [(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 135666337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).