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

C9H12N4O2 — CID 58854562

IUPAC2-[2-(3,4-dihydroxyphenyl)ethylideneamino]guanidine
SMILESNC(N)=NN=CCc1ccc(O)c(O)c1
InChIInChI=1S/C9H12N4O2/c10-9(11)13-12-4-3-6-1-2-7(14)8(15)5-6/h1-2,4-5,14-15H,3H2,(H4,10,11,13)
InChIKeyFJKFFOZYPKZUBV-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.10
Rot. Bonds3

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

2-[2-(3,4-dihydroxyphenyl)ethylideneamino]guanidine (PubChem CID 58854562) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-[2-(3,4-dihydroxyphenyl)ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[2-(3,4-dihydroxyphenyl)ethylideneamino]guanidine
PubChem CID58854562
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-[2-(3,4-dihydroxyphenyl)ethylideneamino]guanidine
SMILESNC(N)=NN=CCc1ccc(O)c(O)c1
InChIInChI=1S/C9H12N4O2/c10-9(11)13-12-4-3-6-1-2-7(14)8(15)5-6/h1-2,4-5,14-15H,3H2,(H4,10,11,13)
InChIKeyFJKFFOZYPKZUBV-UHFFFAOYSA-N
XLogP-0.10
TPSA117.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydroxyphenyl)ethylideneamino]guanidine?
The IUPAC name of 2-[2-(3,4-dihydroxyphenyl)ethylideneamino]guanidine (CID 58854562) is 2-[2-(3,4-dihydroxyphenyl)ethylideneamino]guanidine.
What is the SMILES notation for 2-[2-(3,4-dihydroxyphenyl)ethylideneamino]guanidine?
The canonical SMILES for 2-[2-(3,4-dihydroxyphenyl)ethylideneamino]guanidine is NC(N)=NN=CCc1ccc(O)c(O)c1.
What is the InChIKey of 2-[2-(3,4-dihydroxyphenyl)ethylideneamino]guanidine?
The InChIKey is FJKFFOZYPKZUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-9(11)13-12-4-3-6-1-2-7(14)8(15)5-6/h1-2,4-5,14-15H,3H2,(H4,10,11,13).
What are the key properties of 2-[2-(3,4-dihydroxyphenyl)ethylideneamino]guanidine?
2-[2-(3,4-dihydroxyphenyl)ethylideneamino]guanidine has a molecular weight of 208.22 g/mol, XLogP of -0.10, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dihydroxyphenyl)ethylideneamino]guanidine is sourced from PubChem (CID 58854562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).