2-(furan-2-ylmethyl)guanidine

C6H9N3O — CID 3754096

IUPAC2-(furan-2-ylmethyl)guanidine
SMILESNC(N)=NCc1ccco1
InChIInChI=1S/C6H9N3O/c7-6(8)9-4-5-2-1-3-10-5/h1-3H,4H2,(H4,7,8,9)
InChIKeyKJLXPGOZRJYNKL-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.05
Rot. Bonds2

About 2-(furan-2-ylmethyl)guanidine

2-(furan-2-ylmethyl)guanidine (PubChem CID 3754096) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)guanidine
PubChem CID3754096
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-(furan-2-ylmethyl)guanidine
SMILESNC(N)=NCc1ccco1
InChIInChI=1S/C6H9N3O/c7-6(8)9-4-5-2-1-3-10-5/h1-3H,4H2,(H4,7,8,9)
InChIKeyKJLXPGOZRJYNKL-UHFFFAOYSA-N
XLogP0.05
TPSA77.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)guanidine?
The IUPAC name of 2-(furan-2-ylmethyl)guanidine (CID 3754096) is 2-(furan-2-ylmethyl)guanidine.
What is the SMILES notation for 2-(furan-2-ylmethyl)guanidine?
The canonical SMILES for 2-(furan-2-ylmethyl)guanidine is NC(N)=NCc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethyl)guanidine?
The InChIKey is KJLXPGOZRJYNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c7-6(8)9-4-5-2-1-3-10-5/h1-3H,4H2,(H4,7,8,9).
What are the key properties of 2-(furan-2-ylmethyl)guanidine?
2-(furan-2-ylmethyl)guanidine has a molecular weight of 139.16 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)guanidine is sourced from PubChem (CID 3754096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).