1,2-bis[(E)-(4-hydroxyphenyl)methylideneamino]guanidine

C15H15N5O2 — CID 137175215

IUPAC1,2-bis[(E)-(4-hydroxyphenyl)methylideneamino]guanidine
SMILESN/C(=N\N=C\c1ccc(O)cc1)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C15H15N5O2/c16-15(19-17-9-11-1-5-13(21)6-2-11)20-18-10-12-3-7-14(22)8-4-12/h1-10,21-22H,(H3,16,19,20)/b17-9+,18-10+
InChIKeyVEDAYTGZIBUUFT-BEQMOXJMSA-N
MW297.32 g/mol
LogP1.37
Rot. Bonds4

About 1,2-bis[(E)-(4-hydroxyphenyl)methylideneamino]guanidine

1,2-bis[(E)-(4-hydroxyphenyl)methylideneamino]guanidine (PubChem CID 137175215) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1,2-bis[(E)-(4-hydroxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1,2-bis[(E)-(4-hydroxyphenyl)methylideneamino]guanidine
PubChem CID137175215
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name1,2-bis[(E)-(4-hydroxyphenyl)methylideneamino]guanidine
SMILESN/C(=N\N=C\c1ccc(O)cc1)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C15H15N5O2/c16-15(19-17-9-11-1-5-13(21)6-2-11)20-18-10-12-3-7-14(22)8-4-12/h1-10,21-22H,(H3,16,19,20)/b17-9+,18-10+
InChIKeyVEDAYTGZIBUUFT-BEQMOXJMSA-N
XLogP1.37
TPSA115.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(E)-(4-hydroxyphenyl)methylideneamino]guanidine?
The IUPAC name of 1,2-bis[(E)-(4-hydroxyphenyl)methylideneamino]guanidine (CID 137175215) is 1,2-bis[(E)-(4-hydroxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 1,2-bis[(E)-(4-hydroxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 1,2-bis[(E)-(4-hydroxyphenyl)methylideneamino]guanidine is N/C(=N\N=C\c1ccc(O)cc1)N/N=C/c1ccc(O)cc1.
What is the InChIKey of 1,2-bis[(E)-(4-hydroxyphenyl)methylideneamino]guanidine?
The InChIKey is VEDAYTGZIBUUFT-BEQMOXJMSA-N. The full InChI is InChI=1S/C15H15N5O2/c16-15(19-17-9-11-1-5-13(21)6-2-11)20-18-10-12-3-7-14(22)8-4-12/h1-10,21-22H,(H3,16,19,20)/b17-9+,18-10+.
What are the key properties of 1,2-bis[(E)-(4-hydroxyphenyl)methylideneamino]guanidine?
1,2-bis[(E)-(4-hydroxyphenyl)methylideneamino]guanidine has a molecular weight of 297.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(E)-(4-hydroxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 137175215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).