2-(4-methyl-5-oxo-2H-furan-2-yl)guanidine

C6H9N3O2 — CID 170277355

IUPAC2-(4-methyl-5-oxo-2H-furan-2-yl)guanidine
SMILESCC1=CC(N=C(N)N)OC1=O
InChIInChI=1S/C6H9N3O2/c1-3-2-4(9-6(7)8)11-5(3)10/h2,4H,1H3,(H4,7,8,9)
InChIKeyKIHABQGUAYMOJN-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.91
Rot. Bonds1

About 2-(4-methyl-5-oxo-2H-furan-2-yl)guanidine

2-(4-methyl-5-oxo-2H-furan-2-yl)guanidine (PubChem CID 170277355) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-(4-methyl-5-oxo-2H-furan-2-yl)guanidine.

Molecular Properties

Compound Name2-(4-methyl-5-oxo-2H-furan-2-yl)guanidine
PubChem CID170277355
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-(4-methyl-5-oxo-2H-furan-2-yl)guanidine
SMILESCC1=CC(N=C(N)N)OC1=O
InChIInChI=1S/C6H9N3O2/c1-3-2-4(9-6(7)8)11-5(3)10/h2,4H,1H3,(H4,7,8,9)
InChIKeyKIHABQGUAYMOJN-UHFFFAOYSA-N
XLogP-0.91
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.91
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-oxo-2H-furan-2-yl)guanidine?
The IUPAC name of 2-(4-methyl-5-oxo-2H-furan-2-yl)guanidine (CID 170277355) is 2-(4-methyl-5-oxo-2H-furan-2-yl)guanidine.
What is the SMILES notation for 2-(4-methyl-5-oxo-2H-furan-2-yl)guanidine?
The canonical SMILES for 2-(4-methyl-5-oxo-2H-furan-2-yl)guanidine is CC1=CC(N=C(N)N)OC1=O.
What is the InChIKey of 2-(4-methyl-5-oxo-2H-furan-2-yl)guanidine?
The InChIKey is KIHABQGUAYMOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-3-2-4(9-6(7)8)11-5(3)10/h2,4H,1H3,(H4,7,8,9).
What are the key properties of 2-(4-methyl-5-oxo-2H-furan-2-yl)guanidine?
2-(4-methyl-5-oxo-2H-furan-2-yl)guanidine has a molecular weight of 155.16 g/mol, XLogP of -0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-oxo-2H-furan-2-yl)guanidine is sourced from PubChem (CID 170277355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).