2-[(E)-1-(3,4-dihydroxyphenyl)ethylideneamino]guanidine

C9H12N4O2 — CID 135475507

IUPAC2-[(E)-1-(3,4-dihydroxyphenyl)ethylideneamino]guanidine
SMILESC/C(=N\N=C(N)N)c1ccc(O)c(O)c1
InChIInChI=1S/C9H12N4O2/c1-5(12-13-9(10)11)6-2-3-7(14)8(15)4-6/h2-4,14-15H,1H3,(H4,10,11,13)/b12-5+
InChIKeyZUQLZYXAAQYOCN-LFYBBSHMSA-N
MW208.22 g/mol
LogP0.10
Rot. Bonds2

About 2-[(E)-1-(3,4-dihydroxyphenyl)ethylideneamino]guanidine

2-[(E)-1-(3,4-dihydroxyphenyl)ethylideneamino]guanidine (PubChem CID 135475507) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-[(E)-1-(3,4-dihydroxyphenyl)ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-1-(3,4-dihydroxyphenyl)ethylideneamino]guanidine
PubChem CID135475507
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-[(E)-1-(3,4-dihydroxyphenyl)ethylideneamino]guanidine
SMILESC/C(=N\N=C(N)N)c1ccc(O)c(O)c1
InChIInChI=1S/C9H12N4O2/c1-5(12-13-9(10)11)6-2-3-7(14)8(15)4-6/h2-4,14-15H,1H3,(H4,10,11,13)/b12-5+
InChIKeyZUQLZYXAAQYOCN-LFYBBSHMSA-N
XLogP0.10
TPSA117.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

2-[(E)-1-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-4-hydroxyphenyl]ethylideneamino]guanidine
CID 135527034
2-[(E)-1-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]guanidine;hydrochloride
CID 45261938
2-[(E)-1-[5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2,4-dihydroxyphenyl]ethylideneamino]guanidine;dihydrochloride
CID 172929445
2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;hydrochloride
CID 54598572
2-[(Z)-1-[3-[3,5-bis[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]guanidine
CID 176917440
2-[(E)-1-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-5-hydroxyphenyl]ethylideneamino]guanidine;hydrate;dihydrochloride
CID 172943602
2-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]guanidine
CID 9017548
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]guanidine;hydrochloride
CID 160531205
2-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]guanidine
CID 9058052
4-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,2-diol
CID 137317837
2-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]guanidine;nitric acid
CID 135534479
2-[1-(3,4-dipropoxyphenyl)ethylideneamino]guanidine
CID 76872420

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(3,4-dihydroxyphenyl)ethylideneamino]guanidine?
The IUPAC name of 2-[(E)-1-(3,4-dihydroxyphenyl)ethylideneamino]guanidine (CID 135475507) is 2-[(E)-1-(3,4-dihydroxyphenyl)ethylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-1-(3,4-dihydroxyphenyl)ethylideneamino]guanidine?
The canonical SMILES for 2-[(E)-1-(3,4-dihydroxyphenyl)ethylideneamino]guanidine is C/C(=N\N=C(N)N)c1ccc(O)c(O)c1.
What is the InChIKey of 2-[(E)-1-(3,4-dihydroxyphenyl)ethylideneamino]guanidine?
The InChIKey is ZUQLZYXAAQYOCN-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-5(12-13-9(10)11)6-2-3-7(14)8(15)4-6/h2-4,14-15H,1H3,(H4,10,11,13)/b12-5+.
What are the key properties of 2-[(E)-1-(3,4-dihydroxyphenyl)ethylideneamino]guanidine?
2-[(E)-1-(3,4-dihydroxyphenyl)ethylideneamino]guanidine has a molecular weight of 208.22 g/mol, XLogP of 0.10, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(3,4-dihydroxyphenyl)ethylideneamino]guanidine is sourced from PubChem (CID 135475507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).