2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine

C9H12N4O2 — CID 135460252

IUPAC2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine
SMILESCOc1cc(/C=N/N=C(N)N)ccc1O
InChIInChI=1S/C9H12N4O2/c1-15-8-4-6(2-3-7(8)14)5-12-13-9(10)11/h2-5,14H,1H3,(H4,10,11,13)/b12-5+
InChIKeyAUWLLDNHXWTMLF-LFYBBSHMSA-N
MW208.22 g/mol
LogP0.01
Rot. Bonds3

About 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine

2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine (PubChem CID 135460252) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine
PubChem CID135460252
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine
SMILESCOc1cc(/C=N/N=C(N)N)ccc1O
InChIInChI=1S/C9H12N4O2/c1-15-8-4-6(2-3-7(8)14)5-12-13-9(10)11/h2-5,14H,1H3,(H4,10,11,13)/b12-5+
InChIKeyAUWLLDNHXWTMLF-LFYBBSHMSA-N
XLogP0.01
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

methyl N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamimidothioate;hydroiodide
CID 135412245
2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine
CID 168592573
2-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 2387812
2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine
CID 2716681
2-[(E)-[3-[5-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]pentoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 21195025
2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine
CID 143815352
2-[(E)-[4-methoxy-3-(trifluoromethyl)phenyl]methylideneamino]guanidine
CID 87880684
[4-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenyl] 2-methylpropanoate
CID 168590735
4-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-2-methoxyphenol
CID 154979830
2-[(4-methoxy-3-phenylphenyl)methylideneamino]guanidine
CID 168591706
2-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methylideneamino]guanidine
CID 168592187
2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]guanidine
CID 168592367

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine (CID 135460252) is 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine is COc1cc(/C=N/N=C(N)N)ccc1O.
What is the InChIKey of 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine?
The InChIKey is AUWLLDNHXWTMLF-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-15-8-4-6(2-3-7(8)14)5-12-13-9(10)11/h2-5,14H,1H3,(H4,10,11,13)/b12-5+.
What are the key properties of 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine?
2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine has a molecular weight of 208.22 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 135460252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).