1-hydroxy-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]guanidine

C9H12N4O3 — CID 135448371

IUPAC1-hydroxy-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]guanidine
SMILESCOc1cccc(/C=N/N=C(\N)NO)c1O
InChIInChI=1S/C9H12N4O3/c1-16-7-4-2-3-6(8(7)14)5-11-12-9(10)13-15/h2-5,14-15H,1H3,(H3,10,12,13)/b11-5+
InChIKeyGLLRXXASPRLRGN-VZUCSPMQSA-N
MW224.22 g/mol
LogP0.03
Rot. Bonds3

About 1-hydroxy-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]guanidine

1-hydroxy-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]guanidine (PubChem CID 135448371) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-hydroxy-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1-hydroxy-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]guanidine
PubChem CID135448371
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name1-hydroxy-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]guanidine
SMILESCOc1cccc(/C=N/N=C(\N)NO)c1O
InChIInChI=1S/C9H12N4O3/c1-16-7-4-2-3-6(8(7)14)5-11-12-9(10)13-15/h2-5,14-15H,1H3,(H3,10,12,13)/b11-5+
InChIKeyGLLRXXASPRLRGN-VZUCSPMQSA-N
XLogP0.03
TPSA112.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 1-hydroxy-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]guanidine?
The IUPAC name of 1-hydroxy-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]guanidine (CID 135448371) is 1-hydroxy-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 1-hydroxy-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 1-hydroxy-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]guanidine is COc1cccc(/C=N/N=C(\N)NO)c1O.
What is the InChIKey of 1-hydroxy-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]guanidine?
The InChIKey is GLLRXXASPRLRGN-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-16-7-4-2-3-6(8(7)14)5-11-12-9(10)13-15/h2-5,14-15H,1H3,(H3,10,12,13)/b11-5+.
What are the key properties of 1-hydroxy-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]guanidine?
1-hydroxy-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]guanidine has a molecular weight of 224.22 g/mol, XLogP of 0.03, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 135448371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).