1,2-bis[(E)-(2,3-dihydroxyphenyl)methylideneamino]guanidine

C15H15N5O4 — CID 172918115

IUPAC1,2-bis[(E)-(2,3-dihydroxyphenyl)methylideneamino]guanidine
SMILESNC(=N/N=C/c1cccc(O)c1O)N/N=C/c1cccc(O)c1O
InChIInChI=1S/C15H15N5O4/c16-15(19-17-7-9-3-1-5-11(21)13(9)23)20-18-8-10-4-2-6-12(22)14(10)24/h1-8,21-24H,(H3,16,19,20)/b17-7+,18-8+
InChIKeyIXYPIWUHECMNCC-ZEELXFFVSA-N
MW329.32 g/mol
LogP0.78
Rot. Bonds4

About 1,2-bis[(E)-(2,3-dihydroxyphenyl)methylideneamino]guanidine

1,2-bis[(E)-(2,3-dihydroxyphenyl)methylideneamino]guanidine (PubChem CID 172918115) has the molecular formula C15H15N5O4 and a molecular weight of 329.32 g/mol. Its IUPAC name is 1,2-bis[(E)-(2,3-dihydroxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1,2-bis[(E)-(2,3-dihydroxyphenyl)methylideneamino]guanidine
PubChem CID172918115
Molecular FormulaC15H15N5O4
Molecular Weight329.32 g/mol
Exact Mass329.11
IUPAC Name1,2-bis[(E)-(2,3-dihydroxyphenyl)methylideneamino]guanidine
SMILESNC(=N/N=C/c1cccc(O)c1O)N/N=C/c1cccc(O)c1O
InChIInChI=1S/C15H15N5O4/c16-15(19-17-7-9-3-1-5-11(21)13(9)23)20-18-8-10-4-2-6-12(22)14(10)24/h1-8,21-24H,(H3,16,19,20)/b17-7+,18-8+
InChIKeyIXYPIWUHECMNCC-ZEELXFFVSA-N
XLogP0.78
TPSA156.05 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.32
LogP ≤ 50.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,2-bis[(2,3,4-trihydroxyphenyl)methylideneamino]guanidine
CID 137153596
1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine
CID 136795111
1,2-bis[(2-fluorophenyl)methylideneamino]guanidine
CID 5114964
1,2-bis[(E)-(2-methylphenyl)methylideneamino]guanidine
CID 118931056
1,2-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]guanidine
CID 136632894
1,2-bis[(2-bromophenyl)methylideneamino]guanidine;hydrochloride
CID 140813721
N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide
CID 5041852
1,2-bis[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]guanidine
CID 131998260
3-[(2,3-dihydroxyphenyl)methylideneamino]-1,1-dimethylthiourea
CID 135925130
1,2-bis[(E)-[2-(trifluoromethoxy)phenyl]methylideneamino]guanidine
CID 164928810
N-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 2693831
3-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2-diol
CID 2127680

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(E)-(2,3-dihydroxyphenyl)methylideneamino]guanidine?
The IUPAC name of 1,2-bis[(E)-(2,3-dihydroxyphenyl)methylideneamino]guanidine (CID 172918115) is 1,2-bis[(E)-(2,3-dihydroxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 1,2-bis[(E)-(2,3-dihydroxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 1,2-bis[(E)-(2,3-dihydroxyphenyl)methylideneamino]guanidine is NC(=N/N=C/c1cccc(O)c1O)N/N=C/c1cccc(O)c1O.
What is the InChIKey of 1,2-bis[(E)-(2,3-dihydroxyphenyl)methylideneamino]guanidine?
The InChIKey is IXYPIWUHECMNCC-ZEELXFFVSA-N. The full InChI is InChI=1S/C15H15N5O4/c16-15(19-17-7-9-3-1-5-11(21)13(9)23)20-18-8-10-4-2-6-12(22)14(10)24/h1-8,21-24H,(H3,16,19,20)/b17-7+,18-8+.
What are the key properties of 1,2-bis[(E)-(2,3-dihydroxyphenyl)methylideneamino]guanidine?
1,2-bis[(E)-(2,3-dihydroxyphenyl)methylideneamino]guanidine has a molecular weight of 329.32 g/mol, XLogP of 0.78, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(E)-(2,3-dihydroxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 172918115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).