2-[(E)-1-(6-methyl-5,8-dioxonaphthalen-2-yl)ethylideneamino]guanidine

C14H14N4O2 — CID 10265138

IUPAC2-[(E)-1-(6-methyl-5,8-dioxonaphthalen-2-yl)ethylideneamino]guanidine
SMILESCC1=CC(=O)c2cc(/C(C)=N/N=C(N)N)ccc2C1=O
InChIInChI=1S/C14H14N4O2/c1-7-5-12(19)11-6-9(3-4-10(11)13(7)20)8(2)17-18-14(15)16/h3-6H,1-2H3,(H4,15,16,18)/b17-8+
InChIKeyAJLGCFJNCBIPOH-CAOOACKPSA-N
MW270.29 g/mol
LogP1.01
Rot. Bonds2

About 2-[(E)-1-(6-methyl-5,8-dioxonaphthalen-2-yl)ethylideneamino]guanidine

2-[(E)-1-(6-methyl-5,8-dioxonaphthalen-2-yl)ethylideneamino]guanidine (PubChem CID 10265138) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[(E)-1-(6-methyl-5,8-dioxonaphthalen-2-yl)ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-1-(6-methyl-5,8-dioxonaphthalen-2-yl)ethylideneamino]guanidine
PubChem CID10265138
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name2-[(E)-1-(6-methyl-5,8-dioxonaphthalen-2-yl)ethylideneamino]guanidine
SMILESCC1=CC(=O)c2cc(/C(C)=N/N=C(N)N)ccc2C1=O
InChIInChI=1S/C14H14N4O2/c1-7-5-12(19)11-6-9(3-4-10(11)13(7)20)8(2)17-18-14(15)16/h3-6H,1-2H3,(H4,15,16,18)/b17-8+
InChIKeyAJLGCFJNCBIPOH-CAOOACKPSA-N
XLogP1.01
TPSA110.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', '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'}

Analyze 2-[(E)-1-(6-methyl-5,8-dioxonaphthalen-2-yl)ethylideneamino]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(6-methyl-5,8-dioxonaphthalen-2-yl)ethylideneamino]guanidine?
The IUPAC name of 2-[(E)-1-(6-methyl-5,8-dioxonaphthalen-2-yl)ethylideneamino]guanidine (CID 10265138) is 2-[(E)-1-(6-methyl-5,8-dioxonaphthalen-2-yl)ethylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-1-(6-methyl-5,8-dioxonaphthalen-2-yl)ethylideneamino]guanidine?
The canonical SMILES for 2-[(E)-1-(6-methyl-5,8-dioxonaphthalen-2-yl)ethylideneamino]guanidine is CC1=CC(=O)c2cc(/C(C)=N/N=C(N)N)ccc2C1=O.
What is the InChIKey of 2-[(E)-1-(6-methyl-5,8-dioxonaphthalen-2-yl)ethylideneamino]guanidine?
The InChIKey is AJLGCFJNCBIPOH-CAOOACKPSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-7-5-12(19)11-6-9(3-4-10(11)13(7)20)8(2)17-18-14(15)16/h3-6H,1-2H3,(H4,15,16,18)/b17-8+.
What are the key properties of 2-[(E)-1-(6-methyl-5,8-dioxonaphthalen-2-yl)ethylideneamino]guanidine?
2-[(E)-1-(6-methyl-5,8-dioxonaphthalen-2-yl)ethylideneamino]guanidine has a molecular weight of 270.29 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(6-methyl-5,8-dioxonaphthalen-2-yl)ethylideneamino]guanidine is sourced from PubChem (CID 10265138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).