2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine

C10H14N4O3 — CID 173058134

IUPAC2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
SMILESCOc1ccc(OC)c(/C=N/N=C(N)NO)c1
InChIInChI=1S/C10H14N4O3/c1-16-8-3-4-9(17-2)7(5-8)6-12-13-10(11)14-15/h3-6,15H,1-2H3,(H3,11,13,14)/b12-6+
InChIKeyJSGRCUWAIASAGK-WUXMJOGZSA-N
MW238.25 g/mol
LogP0.33
Rot. Bonds4

About 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine

2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine (PubChem CID 173058134) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
PubChem CID173058134
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
SMILESCOc1ccc(OC)c(/C=N/N=C(N)NO)c1
InChIInChI=1S/C10H14N4O3/c1-16-8-3-4-9(17-2)7(5-8)6-12-13-10(11)14-15/h3-6,15H,1-2H3,(H3,11,13,14)/b12-6+
InChIKeyJSGRCUWAIASAGK-WUXMJOGZSA-N
XLogP0.33
TPSA101.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine
CID 5494118
2-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 139982922
1-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine
CID 139982862
1-hydroxy-2-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid
CID 137091187
N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 2755791
2-[(2-chloro-3,4,5-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 142660061
2-[(E)-(5-bromo-2,3,4-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 173023877
2-[(E)-[2-(2,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine
CID 44572998
1-hydroxy-2-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid
CID 172940204
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461
1-hydroxy-2-[(E)-2-(4-methoxyphenoxy)ethylideneamino]guanidine
CID 11838398
1-hydroxy-2-[(E)-(2-methylphenyl)methylideneamino]guanidine
CID 172962285

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine?
The IUPAC name of 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine (CID 173058134) is 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine?
The canonical SMILES for 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine is COc1ccc(OC)c(/C=N/N=C(N)NO)c1.
What is the InChIKey of 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine?
The InChIKey is JSGRCUWAIASAGK-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-16-8-3-4-9(17-2)7(5-8)6-12-13-10(11)14-15/h3-6,15H,1-2H3,(H3,11,13,14)/b12-6+.
What are the key properties of 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine?
2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine has a molecular weight of 238.25 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine is sourced from PubChem (CID 173058134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).