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

C8H10N4O — CID 135460245

IUPAC2-[(E)-(2-hydroxyphenyl)methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1ccccc1O
InChIInChI=1S/C8H10N4O/c9-8(10)12-11-5-6-3-1-2-4-7(6)13/h1-5,13H,(H4,9,10,12)/b11-5+
InChIKeyRRWSDYNYJQHNKL-VZUCSPMQSA-N
MW178.19 g/mol
LogP-0.00
Rot. Bonds2

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

2-[(E)-(2-hydroxyphenyl)methylideneamino]guanidine (PubChem CID 135460245) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-[(E)-(2-hydroxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-(2-hydroxyphenyl)methylideneamino]guanidine
PubChem CID135460245
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2-[(E)-(2-hydroxyphenyl)methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1ccccc1O
InChIInChI=1S/C8H10N4O/c9-8(10)12-11-5-6-3-1-2-4-7(6)13/h1-5,13H,(H4,9,10,12)/b11-5+
InChIKeyRRWSDYNYJQHNKL-VZUCSPMQSA-N
XLogP-0.00
TPSA96.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

Salicylaldehyde Thiosemicarbazone
CID 135423926
N,N'-Bis(salicylidene)ethylenediamine
CID 26518
N,N'-Bis(salicylidene)-1,3-propanediamine
CID 67125
Phenol, 2,2'-[1,6-hexanediylbis(nitrilomethylidyne)]bis-
CID 260228
Salicylaldoxime
CID 135408751
2-Hydroxybenzaldehyde semicarbazone
CID 135466838
N,N'-Bis(salicylidene)-1,4-butanediamine
CID 482317
Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
Salicylaldazine
CID 135400567
4-hydroxybenzaldehyde [(1E)-(4-hydroxyphenyl)methylene]hydrazone
CID 135460511
3-Hydroxybenzaldehyde azine
CID 6895745
Salicylaldehyde hydrazone
CID 135484217

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2-hydroxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(E)-(2-hydroxyphenyl)methylideneamino]guanidine (CID 135460245) is 2-[(E)-(2-hydroxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-(2-hydroxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-(2-hydroxyphenyl)methylideneamino]guanidine is NC(N)=N/N=C/c1ccccc1O.
What is the InChIKey of 2-[(E)-(2-hydroxyphenyl)methylideneamino]guanidine?
The InChIKey is RRWSDYNYJQHNKL-VZUCSPMQSA-N. The full InChI is InChI=1S/C8H10N4O/c9-8(10)12-11-5-6-3-1-2-4-7(6)13/h1-5,13H,(H4,9,10,12)/b11-5+.
What are the key properties of 2-[(E)-(2-hydroxyphenyl)methylideneamino]guanidine?
2-[(E)-(2-hydroxyphenyl)methylideneamino]guanidine has a molecular weight of 178.19 g/mol, XLogP of -0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-hydroxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 135460245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).