2,5-dimethylfuran-3-carboximidamide;hydrochloride

C7H11ClN2O — CID 42614713

IUPAC2,5-dimethylfuran-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cc(C)oc1C
InChIInChI=1S/C7H10N2O.ClH/c1-4-3-6(7(8)9)5(2)10-4;/h3H,1-2H3,(H3,8,9);1H
InChIKeyWKDQOYLPWBWVGN-UHFFFAOYSA-N
MW174.63 g/mol
LogP1.60
Rot. Bonds1

About 2,5-dimethylfuran-3-carboximidamide;hydrochloride

2,5-dimethylfuran-3-carboximidamide;hydrochloride (PubChem CID 42614713) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 2,5-dimethylfuran-3-carboximidamide;hydrochloride.

Molecular Properties

Compound Name2,5-dimethylfuran-3-carboximidamide;hydrochloride
PubChem CID42614713
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name2,5-dimethylfuran-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cc(C)oc1C
InChIInChI=1S/C7H10N2O.ClH/c1-4-3-6(7(8)9)5(2)10-4;/h3H,1-2H3,(H3,8,9);1H
InChIKeyWKDQOYLPWBWVGN-UHFFFAOYSA-N
XLogP1.60
TPSA63.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 51.60
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'}

Analyze 2,5-dimethylfuran-3-carboximidamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylfuran-3-carboximidamide;hydrochloride?
The IUPAC name of 2,5-dimethylfuran-3-carboximidamide;hydrochloride (CID 42614713) is 2,5-dimethylfuran-3-carboximidamide;hydrochloride.
What is the SMILES notation for 2,5-dimethylfuran-3-carboximidamide;hydrochloride?
The canonical SMILES for 2,5-dimethylfuran-3-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cc(C)oc1C.
What is the InChIKey of 2,5-dimethylfuran-3-carboximidamide;hydrochloride?
The InChIKey is WKDQOYLPWBWVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.ClH/c1-4-3-6(7(8)9)5(2)10-4;/h3H,1-2H3,(H3,8,9);1H.
What are the key properties of 2,5-dimethylfuran-3-carboximidamide;hydrochloride?
2,5-dimethylfuran-3-carboximidamide;hydrochloride has a molecular weight of 174.63 g/mol, XLogP of 1.60, 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;hydrochloride is sourced from PubChem (CID 42614713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).