[1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea

C10H13N3O2 — CID 4521675

IUPAC[1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea
SMILESCC(=NNC(N)=O)c1cc(C)ccc1O
InChIInChI=1S/C10H13N3O2/c1-6-3-4-9(14)8(5-6)7(2)12-13-10(11)15/h3-5,14H,1-2H3,(H3,11,13,15)
InChIKeyFGFPOOLUYASSKU-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.09
Rot. Bonds2

About [1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea

[1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea (PubChem CID 4521675) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is [1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea.

Molecular Properties

Compound Name[1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea
PubChem CID4521675
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name[1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea
SMILESCC(=NNC(N)=O)c1cc(C)ccc1O
InChIInChI=1S/C10H13N3O2/c1-6-3-4-9(14)8(5-6)7(2)12-13-10(11)15/h3-5,14H,1-2H3,(H3,11,13,15)
InChIKeyFGFPOOLUYASSKU-UHFFFAOYSA-N
XLogP1.09
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
CID 135730431
[1-(2-hydroxyphenyl)ethylideneamino]urea
CID 2732242
[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamodithioic acid
CID 137152723
tert-butyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
CID 135730413
2-(2,4-dimethylphenyl)-N-[(Z)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 136727508
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 135614486
N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 17337800
3-[2-[N-(carbamoylamino)-C-methylcarbonimidoyl]-4-methylphenyl]butanoic acid
CID 2750665
N'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide
CID 9120782
2-(4-ethylphenoxy)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 135575983
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol
CID 135641577
2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol
CID 5240881

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea?
The IUPAC name of [1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea (CID 4521675) is [1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea.
What is the SMILES notation for [1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea?
The canonical SMILES for [1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea is CC(=NNC(N)=O)c1cc(C)ccc1O.
What is the InChIKey of [1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea?
The InChIKey is FGFPOOLUYASSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6-3-4-9(14)8(5-6)7(2)12-13-10(11)15/h3-5,14H,1-2H3,(H3,11,13,15).
What are the key properties of [1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea?
[1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea has a molecular weight of 207.23 g/mol, XLogP of 1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea is sourced from PubChem (CID 4521675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).