2-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]guanidine

C10H14N4O2 — CID 135412665

IUPAC2-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]guanidine
SMILESCOc1ccc(/C(C)=N/N=C(N)N)c(O)c1
InChIInChI=1S/C10H14N4O2/c1-6(13-14-10(11)12)8-4-3-7(16-2)5-9(8)15/h3-5,15H,1-2H3,(H4,11,12,14)/b13-6+
InChIKeyUZNCIJTYPLTBQA-AWNIVKPZSA-N
MW222.25 g/mol
LogP0.40
Rot. Bonds3

About 2-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]guanidine

2-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]guanidine (PubChem CID 135412665) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]guanidine
PubChem CID135412665
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]guanidine
SMILESCOc1ccc(/C(C)=N/N=C(N)N)c(O)c1
InChIInChI=1S/C10H14N4O2/c1-6(13-14-10(11)12)8-4-3-7(16-2)5-9(8)15/h3-5,15H,1-2H3,(H4,11,12,14)/b13-6+
InChIKeyUZNCIJTYPLTBQA-AWNIVKPZSA-N
XLogP0.40
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]guanidine?
The IUPAC name of 2-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]guanidine (CID 135412665) is 2-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]guanidine?
The canonical SMILES for 2-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]guanidine is COc1ccc(/C(C)=N/N=C(N)N)c(O)c1.
What is the InChIKey of 2-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]guanidine?
The InChIKey is UZNCIJTYPLTBQA-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-6(13-14-10(11)12)8-4-3-7(16-2)5-9(8)15/h3-5,15H,1-2H3,(H4,11,12,14)/b13-6+.
What are the key properties of 2-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]guanidine?
2-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]guanidine has a molecular weight of 222.25 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]guanidine is sourced from PubChem (CID 135412665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).