2-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine

C10H14N4O3 — CID 11413724

IUPAC2-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
SMILESCOc1cc(/C=N/N=C(\N)NO)cc(OC)c1
InChIInChI=1S/C10H14N4O3/c1-16-8-3-7(4-9(5-8)17-2)6-12-13-10(11)14-15/h3-6,15H,1-2H3,(H3,11,13,14)/b12-6+
InChIKeyJARPSCPUYGFXBN-WUXMJOGZSA-N
MW238.25 g/mol
LogP0.33
Rot. Bonds4

About 2-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine

2-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine (PubChem CID 11413724) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
PubChem CID11413724
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name2-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
SMILESCOc1cc(/C=N/N=C(\N)NO)cc(OC)c1
InChIInChI=1S/C10H14N4O3/c1-16-8-3-7(4-9(5-8)17-2)6-12-13-10(11)14-15/h3-6,15H,1-2H3,(H3,11,13,14)/b12-6+
InChIKeyJARPSCPUYGFXBN-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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine?
The IUPAC name of 2-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine (CID 11413724) is 2-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine?
The canonical SMILES for 2-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine is COc1cc(/C=N/N=C(\N)NO)cc(OC)c1.
What is the InChIKey of 2-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine?
The InChIKey is JARPSCPUYGFXBN-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-16-8-3-7(4-9(5-8)17-2)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)-(3,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine?
2-[(E)-(3,5-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)-(3,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine is sourced from PubChem (CID 11413724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).