1-[(E)-(4-hydroxyphenyl)methylideneamino]-1-methylurea

C9H11N3O2 — CID 137257545

IUPAC1-[(E)-(4-hydroxyphenyl)methylideneamino]-1-methylurea
SMILESCN(/N=C/c1ccc(O)cc1)C(N)=O
InChIInChI=1S/C9H11N3O2/c1-12(9(10)14)11-6-7-2-4-8(13)5-3-7/h2-6,13H,1H3,(H2,10,14)/b11-6+
InChIKeyFNLUJUGUTZFAIU-IZZDOVSWSA-N
MW193.21 g/mol
LogP0.74
Rot. Bonds2

About 1-[(E)-(4-hydroxyphenyl)methylideneamino]-1-methylurea

1-[(E)-(4-hydroxyphenyl)methylideneamino]-1-methylurea (PubChem CID 137257545) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-[(E)-(4-hydroxyphenyl)methylideneamino]-1-methylurea.

Molecular Properties

Compound Name1-[(E)-(4-hydroxyphenyl)methylideneamino]-1-methylurea
PubChem CID137257545
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1-[(E)-(4-hydroxyphenyl)methylideneamino]-1-methylurea
SMILESCN(/N=C/c1ccc(O)cc1)C(N)=O
InChIInChI=1S/C9H11N3O2/c1-12(9(10)14)11-6-7-2-4-8(13)5-3-7/h2-6,13H,1H3,(H2,10,14)/b11-6+
InChIKeyFNLUJUGUTZFAIU-IZZDOVSWSA-N
XLogP0.74
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

4-[(E)-[methyl(phosphanyl)hydrazinylidene]methyl]phenol
CID 138483443
4-[(E)-[methyl(propyl)hydrazinylidene]methyl]phenol
CID 145321188
4-[(E)-[(dimethyl-λ4-sulfanylidene)phosphanyl-methylhydrazinylidene]methyl]phenol
CID 137100959
N-[bis[[(4-chlorophenyl)methylideneamino]-methylamino]methylidene]acetamide
CID 54507813
ethyl 2-[(4-hydroxyphenyl)methylideneamino]acetate
CID 135509911
1-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
CID 135408538
4-[(Z)-(dimethylhydrazinylidene)methyl]benzoic acid;propan-2-amine
CID 6510849
tert-butyl-[(4-fluorophenyl)methylideneamino]carbamic acid
CID 68662115
benzene-1,4-diol;carbamic acid
CID 158152403
3,4-dimethoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-N-methylbenzamide
CID 71462493
4-[(dimethylhydrazinylidene)methyl]aniline
CID 123147068
ethyl 2-[[[(E)-(4-ethenylphenyl)methylideneamino]-methylcarbamoyl]amino]acetate
CID 88612486

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(4-hydroxyphenyl)methylideneamino]-1-methylurea?
The IUPAC name of 1-[(E)-(4-hydroxyphenyl)methylideneamino]-1-methylurea (CID 137257545) is 1-[(E)-(4-hydroxyphenyl)methylideneamino]-1-methylurea.
What is the SMILES notation for 1-[(E)-(4-hydroxyphenyl)methylideneamino]-1-methylurea?
The canonical SMILES for 1-[(E)-(4-hydroxyphenyl)methylideneamino]-1-methylurea is CN(/N=C/c1ccc(O)cc1)C(N)=O.
What is the InChIKey of 1-[(E)-(4-hydroxyphenyl)methylideneamino]-1-methylurea?
The InChIKey is FNLUJUGUTZFAIU-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-12(9(10)14)11-6-7-2-4-8(13)5-3-7/h2-6,13H,1H3,(H2,10,14)/b11-6+.
What are the key properties of 1-[(E)-(4-hydroxyphenyl)methylideneamino]-1-methylurea?
1-[(E)-(4-hydroxyphenyl)methylideneamino]-1-methylurea has a molecular weight of 193.21 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(4-hydroxyphenyl)methylideneamino]-1-methylurea is sourced from PubChem (CID 137257545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).