1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methylurea

C9H11N3O2 — CID 137264748

IUPAC1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methylurea
SMILESCNC(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C9H11N3O2/c1-10-9(14)12-11-6-7-4-2-3-5-8(7)13/h2-6,13H,1H3,(H2,10,12,14)/b11-6+
InChIKeyJUPGUWLLHZEVHE-IZZDOVSWSA-N
MW193.21 g/mol
LogP0.66
Rot. Bonds2

About 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methylurea

1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methylurea (PubChem CID 137264748) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methylurea.

Molecular Properties

Compound Name1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methylurea
PubChem CID137264748
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methylurea
SMILESCNC(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C9H11N3O2/c1-10-9(14)12-11-6-7-4-2-3-5-8(7)13/h2-6,13H,1H3,(H2,10,12,14)/b11-6+
InChIKeyJUPGUWLLHZEVHE-IZZDOVSWSA-N
XLogP0.66
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.66
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

Salicylaldehyde Thiosemicarbazone
CID 135423926
2-Hydroxybenzaldehyde semicarbazone
CID 135466838
Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
1,3-Bis[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]urea
CID 135458727
4-Hydroxybenzaldehyde semicarbazone
CID 135400267
2-[(2-Hydroxyphenyl)methylene]-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]hydrazinecarboxamide
CID 335340
1,3-bis[(E)-(3-hydroxyphenyl)methylideneamino]urea
CID 9584598
(E)-4-(2-(2-hydroxybenzylidene)hydrazinyl)pyrimidin-2(1H)-one
CID 135630654
2-[(2-hydroxyphenyl)methylene]-N-(3-methoxypropyl)hydrazine-1-carbothioamide
CID 135452581
1,5-Bis(salicylidene)carbohydrazide
CID 96015
Bissalicylidene thiocarbohydrazide
CID 3446799
(E)-4-(2-(3-hydroxybenzylidene)hydrazinyl)pyrimidin-2(1H)-one
CID 6870031

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methylurea?
The IUPAC name of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methylurea (CID 137264748) is 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methylurea.
What is the SMILES notation for 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methylurea?
The canonical SMILES for 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methylurea is CNC(=O)N/N=C/c1ccccc1O.
What is the InChIKey of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methylurea?
The InChIKey is JUPGUWLLHZEVHE-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-10-9(14)12-11-6-7-4-2-3-5-8(7)13/h2-6,13H,1H3,(H2,10,12,14)/b11-6+.
What are the key properties of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methylurea?
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methylurea has a molecular weight of 193.21 g/mol, XLogP of 0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methylurea is sourced from PubChem (CID 137264748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).