1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine

C15H15N5O2 — CID 136795111

IUPAC1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine
SMILESNC(=N/N=C\c1ccccc1O)N/N=C/c1ccccc1O
InChIInChI=1S/C15H15N5O2/c16-15(19-17-9-11-5-1-3-7-13(11)21)20-18-10-12-6-2-4-8-14(12)22/h1-10,21-22H,(H3,16,19,20)/b17-9-,18-10+
InChIKeyHSTUAUQOBCWZDR-BUOZRGFLSA-N
MW297.32 g/mol
LogP1.37
Rot. Bonds4

About 1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine

1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine (PubChem CID 136795111) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine
PubChem CID136795111
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine
SMILESNC(=N/N=C\c1ccccc1O)N/N=C/c1ccccc1O
InChIInChI=1S/C15H15N5O2/c16-15(19-17-9-11-5-1-3-7-13(11)21)20-18-10-12-6-2-4-8-14(12)22/h1-10,21-22H,(H3,16,19,20)/b17-9-,18-10+
InChIKeyHSTUAUQOBCWZDR-BUOZRGFLSA-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_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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Related Compounds

1,2-bis[(E)-(2,3-dihydroxyphenyl)methylideneamino]guanidine
CID 172918115
1,2-bis[(2-fluorophenyl)methylideneamino]guanidine
CID 5114964
1,2-bis[(E)-(2-methylphenyl)methylideneamino]guanidine
CID 118931056
1-hydroxy-2-[(2-hydroxyphenyl)methylideneamino]guanidine
CID 142114039
1,2-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]guanidine
CID 136632894
1,2-bis[(2-bromophenyl)methylideneamino]guanidine;hydrochloride
CID 140813721
1,2-bis[(2,3,4-trihydroxyphenyl)methylideneamino]guanidine
CID 137153596
1,2-bis[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]guanidine
CID 131998260
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
1,2-bis[(E)-[2-(trifluoromethoxy)phenyl]methylideneamino]guanidine
CID 164928810
1,2-bis[(E)-benzylideneamino]guanidine
CID 98427762
2-[(2-hydroxyphenyl)methylideneamino]-1-nitroguanidine
CID 141229523

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine?
The IUPAC name of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine (CID 136795111) is 1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine is NC(=N/N=C\c1ccccc1O)N/N=C/c1ccccc1O.
What is the InChIKey of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine?
The InChIKey is HSTUAUQOBCWZDR-BUOZRGFLSA-N. The full InChI is InChI=1S/C15H15N5O2/c16-15(19-17-9-11-5-1-3-7-13(11)21)20-18-10-12-6-2-4-8-14(12)22/h1-10,21-22H,(H3,16,19,20)/b17-9-,18-10+.
What are the key properties of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine?
1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-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-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 136795111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).