2-[[2-(furan-2-yl)phenyl]methylideneamino]guanidine

C12H12N4O — CID 168593020

IUPAC2-[[2-(furan-2-yl)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccccc1-c1ccco1
InChIInChI=1S/C12H12N4O/c13-12(14)16-15-8-9-4-1-2-5-10(9)11-6-3-7-17-11/h1-8H,(H4,13,14,16)
InChIKeyKFPZZDKRXJXUML-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.55
Rot. Bonds3

About 2-[[2-(furan-2-yl)phenyl]methylideneamino]guanidine

2-[[2-(furan-2-yl)phenyl]methylideneamino]guanidine (PubChem CID 168593020) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)phenyl]methylideneamino]guanidine
PubChem CID168593020
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name2-[[2-(furan-2-yl)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccccc1-c1ccco1
InChIInChI=1S/C12H12N4O/c13-12(14)16-15-8-9-4-1-2-5-10(9)11-6-3-7-17-11/h1-8H,(H4,13,14,16)
InChIKeyKFPZZDKRXJXUML-UHFFFAOYSA-N
XLogP1.55
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.55
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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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[2-(furan-2-yl)phenyl]methylideneamino]guanidine (CID 168593020) is 2-[[2-(furan-2-yl)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[2-(furan-2-yl)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[2-(furan-2-yl)phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1ccccc1-c1ccco1.
What is the InChIKey of 2-[[2-(furan-2-yl)phenyl]methylideneamino]guanidine?
The InChIKey is KFPZZDKRXJXUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-12(14)16-15-8-9-4-1-2-5-10(9)11-6-3-7-17-11/h1-8H,(H4,13,14,16).
What are the key properties of 2-[[2-(furan-2-yl)phenyl]methylideneamino]guanidine?
2-[[2-(furan-2-yl)phenyl]methylideneamino]guanidine has a molecular weight of 228.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168593020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).