(E)-(2-hydroxy-3-methoxyphenyl)methylideneurea

C9H10N2O3 — CID 137275710

IUPAC(E)-(2-hydroxy-3-methoxyphenyl)methylideneurea
SMILESCOc1cccc(/C=N/C(N)=O)c1O
InChIInChI=1S/C9H10N2O3/c1-14-7-4-2-3-6(8(7)12)5-11-9(10)13/h2-5,12H,1H3,(H2,10,13)/b11-5+
InChIKeyYPKGZYSWGDDWOQ-VZUCSPMQSA-N
MW194.19 g/mol
LogP0.90
Rot. Bonds2

About (E)-(2-hydroxy-3-methoxyphenyl)methylideneurea

(E)-(2-hydroxy-3-methoxyphenyl)methylideneurea (PubChem CID 137275710) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is (E)-(2-hydroxy-3-methoxyphenyl)methylideneurea.

Molecular Properties

Compound Name(E)-(2-hydroxy-3-methoxyphenyl)methylideneurea
PubChem CID137275710
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name(E)-(2-hydroxy-3-methoxyphenyl)methylideneurea
SMILESCOc1cccc(/C=N/C(N)=O)c1O
InChIInChI=1S/C9H10N2O3/c1-14-7-4-2-3-6(8(7)12)5-11-9(10)13/h2-5,12H,1H3,(H2,10,13)/b11-5+
InChIKeyYPKGZYSWGDDWOQ-VZUCSPMQSA-N
XLogP0.90
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
2-methoxy-6-(methoxyiminomethyl)phenol
CID 530390
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
manganese(2+);2-methanehydrazonoyl-6-methoxyphenol;dichloride
CID 162116939
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 177385575
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate
CID 135458848
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-trimethylazanium iodide
CID 135534546

Frequently Asked Questions

What is the IUPAC name of (E)-(2-hydroxy-3-methoxyphenyl)methylideneurea?
The IUPAC name of (E)-(2-hydroxy-3-methoxyphenyl)methylideneurea (CID 137275710) is (E)-(2-hydroxy-3-methoxyphenyl)methylideneurea.
What is the SMILES notation for (E)-(2-hydroxy-3-methoxyphenyl)methylideneurea?
The canonical SMILES for (E)-(2-hydroxy-3-methoxyphenyl)methylideneurea is COc1cccc(/C=N/C(N)=O)c1O.
What is the InChIKey of (E)-(2-hydroxy-3-methoxyphenyl)methylideneurea?
The InChIKey is YPKGZYSWGDDWOQ-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-14-7-4-2-3-6(8(7)12)5-11-9(10)13/h2-5,12H,1H3,(H2,10,13)/b11-5+.
What are the key properties of (E)-(2-hydroxy-3-methoxyphenyl)methylideneurea?
(E)-(2-hydroxy-3-methoxyphenyl)methylideneurea has a molecular weight of 194.19 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(2-hydroxy-3-methoxyphenyl)methylideneurea is sourced from PubChem (CID 137275710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).