2-[(E)-[5-(2-methylphenyl)furan-2-yl]methylideneamino]guanidine

C13H14N4O — CID 44542324

IUPAC2-[(E)-[5-(2-methylphenyl)furan-2-yl]methylideneamino]guanidine
SMILESCc1ccccc1-c1ccc(/C=N/N=C(N)N)o1
InChIInChI=1S/C13H14N4O/c1-9-4-2-3-5-11(9)12-7-6-10(18-12)8-16-17-13(14)15/h2-8H,1H3,(H4,14,15,17)/b16-8+
InChIKeyCOOWUUOZBOYBLG-LZYBPNLTSA-N
MW242.28 g/mol
LogP1.86
Rot. Bonds3

About 2-[(E)-[5-(2-methylphenyl)furan-2-yl]methylideneamino]guanidine

2-[(E)-[5-(2-methylphenyl)furan-2-yl]methylideneamino]guanidine (PubChem CID 44542324) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[(E)-[5-(2-methylphenyl)furan-2-yl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[5-(2-methylphenyl)furan-2-yl]methylideneamino]guanidine
PubChem CID44542324
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-[(E)-[5-(2-methylphenyl)furan-2-yl]methylideneamino]guanidine
SMILESCc1ccccc1-c1ccc(/C=N/N=C(N)N)o1
InChIInChI=1S/C13H14N4O/c1-9-4-2-3-5-11(9)12-7-6-10(18-12)8-16-17-13(14)15/h2-8H,1H3,(H4,14,15,17)/b16-8+
InChIKeyCOOWUUOZBOYBLG-LZYBPNLTSA-N
XLogP1.86
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

(2E)-2-[(5-phenylfuran-2-yl)methylidene]hydrazinecarbothioamide
CID 5337698
[[5-(p-Tolyl)-2-furyl]methyleneamino]thiourea
CID 6882801
5-Phenyl-2-furaldehyde semicarbazone
CID 6862724
[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea
CID 5344052
2-Furaldehyde, 5-phenyl-, oxime
CID 5412191
2-[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]guanidine;hydrochloride
CID 44542327
2-[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]guanidine
CID 44542328
methyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 6888698
2-[(E)-[5-(2-propan-2-ylphenyl)furan-2-yl]methylideneamino]guanidine
CID 44542326
2-[[5-[4-Bromo-2-(trifluoromethyl)phenyl]-2-furanyl]methylene]-hydrazinecarboximidamide
CID 60168134
({[5-(4-Fluorophenyl)furan-2-yl]methylidene}amino)urea
CID 9556621
2-((5-(3-Fluorophenyl)furan-2-yl)methylene)hydrazinecarboxamide (4d)
CID 126961623

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[5-(2-methylphenyl)furan-2-yl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[5-(2-methylphenyl)furan-2-yl]methylideneamino]guanidine (CID 44542324) is 2-[(E)-[5-(2-methylphenyl)furan-2-yl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[5-(2-methylphenyl)furan-2-yl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[5-(2-methylphenyl)furan-2-yl]methylideneamino]guanidine is Cc1ccccc1-c1ccc(/C=N/N=C(N)N)o1.
What is the InChIKey of 2-[(E)-[5-(2-methylphenyl)furan-2-yl]methylideneamino]guanidine?
The InChIKey is COOWUUOZBOYBLG-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-4-2-3-5-11(9)12-7-6-10(18-12)8-16-17-13(14)15/h2-8H,1H3,(H4,14,15,17)/b16-8+.
What are the key properties of 2-[(E)-[5-(2-methylphenyl)furan-2-yl]methylideneamino]guanidine?
2-[(E)-[5-(2-methylphenyl)furan-2-yl]methylideneamino]guanidine has a molecular weight of 242.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[5-(2-methylphenyl)furan-2-yl]methylideneamino]guanidine is sourced from PubChem (CID 44542324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).