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

C8H8IN3O2 — CID 11088055

IUPAC1-hydroxy-3-[(E)-(3-iodophenyl)methylideneamino]urea
SMILESO=C(NO)N/N=C/c1cccc(I)c1
InChIInChI=1S/C8H8IN3O2/c9-7-3-1-2-6(4-7)5-10-11-8(13)12-14/h1-5,14H,(H2,11,12,13)/b10-5+
InChIKeyTZOBVZSLULCTNE-BJMVGYQFSA-N
MW305.08 g/mol
LogP1.31
Rot. Bonds2

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

1-hydroxy-3-[(E)-(3-iodophenyl)methylideneamino]urea (PubChem CID 11088055) has the molecular formula C8H8IN3O2 and a molecular weight of 305.08 g/mol. Its IUPAC name is 1-hydroxy-3-[(E)-(3-iodophenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-hydroxy-3-[(E)-(3-iodophenyl)methylideneamino]urea
PubChem CID11088055
Molecular FormulaC8H8IN3O2
Molecular Weight305.08 g/mol
Exact Mass304.97
IUPAC Name1-hydroxy-3-[(E)-(3-iodophenyl)methylideneamino]urea
SMILESO=C(NO)N/N=C/c1cccc(I)c1
InChIInChI=1S/C8H8IN3O2/c9-7-3-1-2-6(4-7)5-10-11-8(13)12-14/h1-5,14H,(H2,11,12,13)/b10-5+
InChIKeyTZOBVZSLULCTNE-BJMVGYQFSA-N
XLogP1.31
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.08
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Hydrazinecarboxamide, 2-(3-phenyl-2-propenylidene)-
CID 9568139
Benzaldehyde semicarbazone
CID 6861419
3,5-Difluorobenzaldehyde carbamoylhydrazone
CID 9580620
[(Z)-[(2E,4E)-5-(4-fluorophenyl)penta-2,4-dienylidene]amino]urea
CID 5606732
[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]urea
CID 6903365
(2E)-2-[(2E)-3-(4-fluorophenyl)prop-2-en-1-ylidene]hydrazinecarboxamide
CID 9667263
4-Methylbenzaldehyde semicarbazone
CID 5705538
Cinnamaldehyde, semicarbazone
CID 235545
(2E)-2-(3-phenylpropylidene)hydrazinecarboxamide
CID 9638518
2,6-Difluorobenzaldehyde carbamoylhydrazone
CID 6903596
(E)-1-(4-fluorobenzylidene)semicarbazide
CID 9645690
1-Hydroxy-2,3,1-benzodiazaborinine-2-carboxamide
CID 129937442

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-[(E)-(3-iodophenyl)methylideneamino]urea?
The IUPAC name of 1-hydroxy-3-[(E)-(3-iodophenyl)methylideneamino]urea (CID 11088055) is 1-hydroxy-3-[(E)-(3-iodophenyl)methylideneamino]urea.
What is the SMILES notation for 1-hydroxy-3-[(E)-(3-iodophenyl)methylideneamino]urea?
The canonical SMILES for 1-hydroxy-3-[(E)-(3-iodophenyl)methylideneamino]urea is O=C(NO)N/N=C/c1cccc(I)c1.
What is the InChIKey of 1-hydroxy-3-[(E)-(3-iodophenyl)methylideneamino]urea?
The InChIKey is TZOBVZSLULCTNE-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H8IN3O2/c9-7-3-1-2-6(4-7)5-10-11-8(13)12-14/h1-5,14H,(H2,11,12,13)/b10-5+.
What are the key properties of 1-hydroxy-3-[(E)-(3-iodophenyl)methylideneamino]urea?
1-hydroxy-3-[(E)-(3-iodophenyl)methylideneamino]urea has a molecular weight of 305.08 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-[(E)-(3-iodophenyl)methylideneamino]urea is sourced from PubChem (CID 11088055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).