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

C9H11N3O3 — CID 11095855

IUPAC1-hydroxy-3-[(E)-(3-methoxyphenyl)methylideneamino]urea
SMILESCOc1cccc(/C=N/NC(=O)NO)c1
InChIInChI=1S/C9H11N3O3/c1-15-8-4-2-3-7(5-8)6-10-11-9(13)12-14/h2-6,14H,1H3,(H2,11,12,13)/b10-6+
InChIKeyBYAQJJZQWVUAHI-UXBLZVDNSA-N
MW209.21 g/mol
LogP0.72
Rot. Bonds3

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

1-hydroxy-3-[(E)-(3-methoxyphenyl)methylideneamino]urea (PubChem CID 11095855) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-hydroxy-3-[(E)-(3-methoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-hydroxy-3-[(E)-(3-methoxyphenyl)methylideneamino]urea
PubChem CID11095855
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name1-hydroxy-3-[(E)-(3-methoxyphenyl)methylideneamino]urea
SMILESCOc1cccc(/C=N/NC(=O)NO)c1
InChIInChI=1S/C9H11N3O3/c1-15-8-4-2-3-7(5-8)6-10-11-9(13)12-14/h2-6,14H,1H3,(H2,11,12,13)/b10-6+
InChIKeyBYAQJJZQWVUAHI-UXBLZVDNSA-N
XLogP0.72
TPSA82.95 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 ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

Anisaldehyde, thiosemicarbazone
CID 6864775
[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]urea
CID 9795610
3-Methoxybenzaldehyde thiosemicarbazone
CID 5375908
3-Methoxy-benzaldehyde oxime
CID 9601243
(2E)-2-{3-[2-(4-methylphenoxy)ethoxy]benzylidene}hydrazinecarboxamide
CID 9600675
N-[(Z)-[3-[(E)-cinnamyl]oxybenzylidene]amino]acetamide
CID 25237178
5-(3-Methoxyphenyl)-3H-1,3,4-oxadiazol-2-one
CID 14173560
2-Methoxybenzaldehyde thiosemicarbazone
CID 5356965
3,4-Dimethoxybenzaldehyde semicarbazone
CID 6907483
1,3-Bis[(2,5-dimethoxyphenyl)methylideneamino]urea
CID 304909
2-(2-methoxybenzylidene)-N-nitrohydrazinecarboximidamide
CID 5334009
(2E)-2-{3-[(4-fluorobenzyl)oxy]benzylidene}hydrazinecarboxamide
CID 5349894

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-[(E)-(3-methoxyphenyl)methylideneamino]urea?
The IUPAC name of 1-hydroxy-3-[(E)-(3-methoxyphenyl)methylideneamino]urea (CID 11095855) is 1-hydroxy-3-[(E)-(3-methoxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-hydroxy-3-[(E)-(3-methoxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-hydroxy-3-[(E)-(3-methoxyphenyl)methylideneamino]urea is COc1cccc(/C=N/NC(=O)NO)c1.
What is the InChIKey of 1-hydroxy-3-[(E)-(3-methoxyphenyl)methylideneamino]urea?
The InChIKey is BYAQJJZQWVUAHI-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-15-8-4-2-3-7(5-8)6-10-11-9(13)12-14/h2-6,14H,1H3,(H2,11,12,13)/b10-6+.
What are the key properties of 1-hydroxy-3-[(E)-(3-methoxyphenyl)methylideneamino]urea?
1-hydroxy-3-[(E)-(3-methoxyphenyl)methylideneamino]urea has a molecular weight of 209.21 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-[(E)-(3-methoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 11095855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).