(2,5-dimethylfuran-3-yl)methylazanium

C7H12NO+ — CID 6932007

IUPAC(2,5-dimethylfuran-3-yl)methylazanium
SMILESCc1cc(C[NH3+])c(C)o1
InChIInChI=1S/C7H11NO/c1-5-3-7(4-8)6(2)9-5/h3H,4,8H2,1-2H3/p+1
InChIKeyAGQXLVABIKZJJG-UHFFFAOYSA-O
MW126.18 g/mol
LogP0.64
Rot. Bonds1

About (2,5-dimethylfuran-3-yl)methylazanium

(2,5-dimethylfuran-3-yl)methylazanium (PubChem CID 6932007) has the molecular formula C7H12NO+ and a molecular weight of 126.18 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)methylazanium.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)methylazanium
PubChem CID6932007
Molecular FormulaC7H12NO+
Molecular Weight126.18 g/mol
Exact Mass126.09
IUPAC Name(2,5-dimethylfuran-3-yl)methylazanium
SMILESCc1cc(C[NH3+])c(C)o1
InChIInChI=1S/C7H11NO/c1-5-3-7(4-8)6(2)9-5/h3H,4,8H2,1-2H3/p+1
InChIKeyAGQXLVABIKZJJG-UHFFFAOYSA-O
XLogP0.64
TPSA40.78 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2,5-dimethylfuran-3-yl)methylazanium 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-yl)methylazanium?
The IUPAC name of (2,5-dimethylfuran-3-yl)methylazanium (CID 6932007) is (2,5-dimethylfuran-3-yl)methylazanium.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)methylazanium?
The canonical SMILES for (2,5-dimethylfuran-3-yl)methylazanium is Cc1cc(C[NH3+])c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)methylazanium?
The InChIKey is AGQXLVABIKZJJG-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H11NO/c1-5-3-7(4-8)6(2)9-5/h3H,4,8H2,1-2H3/p+1.
What are the key properties of (2,5-dimethylfuran-3-yl)methylazanium?
(2,5-dimethylfuran-3-yl)methylazanium has a molecular weight of 126.18 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)methylazanium is sourced from PubChem (CID 6932007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).