2,5-dimethylfuran-3-carboximidamide

C7H10N2O — CID 34179939

IUPAC2,5-dimethylfuran-3-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)oc1C
InChIInChI=1S/C7H10N2O/c1-4-3-6(7(8)9)5(2)10-4/h3H,1-2H3,(H3,8,9)
InChIKeyJCXSPGAJCWJBOC-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.18
Rot. Bonds1

About 2,5-dimethylfuran-3-carboximidamide

2,5-dimethylfuran-3-carboximidamide (PubChem CID 34179939) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2,5-dimethylfuran-3-carboximidamide.

Molecular Properties

Compound Name2,5-dimethylfuran-3-carboximidamide
PubChem CID34179939
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2,5-dimethylfuran-3-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)oc1C
InChIInChI=1S/C7H10N2O/c1-4-3-6(7(8)9)5(2)10-4/h3H,1-2H3,(H3,8,9)
InChIKeyJCXSPGAJCWJBOC-UHFFFAOYSA-N
XLogP1.18
TPSA63.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.18
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 2,5-dimethylfuran-3-carboximidamide?
The IUPAC name of 2,5-dimethylfuran-3-carboximidamide (CID 34179939) is 2,5-dimethylfuran-3-carboximidamide.
What is the SMILES notation for 2,5-dimethylfuran-3-carboximidamide?
The canonical SMILES for 2,5-dimethylfuran-3-carboximidamide is [H]/N=C(\N)c1cc(C)oc1C.
What is the InChIKey of 2,5-dimethylfuran-3-carboximidamide?
The InChIKey is JCXSPGAJCWJBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-4-3-6(7(8)9)5(2)10-4/h3H,1-2H3,(H3,8,9).
What are the key properties of 2,5-dimethylfuran-3-carboximidamide?
2,5-dimethylfuran-3-carboximidamide has a molecular weight of 138.17 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylfuran-3-carboximidamide is sourced from PubChem (CID 34179939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).