5-(3,4-dimethylphenyl)iminofuran-2-one

C12H11NO2 — CID 46881994

IUPAC5-(3,4-dimethylphenyl)iminofuran-2-one
SMILESCc1ccc(/N=C2\C=CC(=O)O2)cc1C
InChIInChI=1S/C12H11NO2/c1-8-3-4-10(7-9(8)2)13-11-5-6-12(14)15-11/h3-7H,1-2H3/b13-11+
InChIKeyZIQAGIIKWMARPE-ACCUITESSA-N
MW201.22 g/mol
LogP2.45
Rot. Bonds1

About 5-(3,4-dimethylphenyl)iminofuran-2-one

5-(3,4-dimethylphenyl)iminofuran-2-one (PubChem CID 46881994) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)iminofuran-2-one.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)iminofuran-2-one
PubChem CID46881994
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name5-(3,4-dimethylphenyl)iminofuran-2-one
SMILESCc1ccc(/N=C2\C=CC(=O)O2)cc1C
InChIInChI=1S/C12H11NO2/c1-8-3-4-10(7-9(8)2)13-11-5-6-12(14)15-11/h3-7H,1-2H3/b13-11+
InChIKeyZIQAGIIKWMARPE-ACCUITESSA-N
XLogP2.45
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)iminofuran-2-one?
The IUPAC name of 5-(3,4-dimethylphenyl)iminofuran-2-one (CID 46881994) is 5-(3,4-dimethylphenyl)iminofuran-2-one.
What is the SMILES notation for 5-(3,4-dimethylphenyl)iminofuran-2-one?
The canonical SMILES for 5-(3,4-dimethylphenyl)iminofuran-2-one is Cc1ccc(/N=C2\C=CC(=O)O2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)iminofuran-2-one?
The InChIKey is ZIQAGIIKWMARPE-ACCUITESSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-3-4-10(7-9(8)2)13-11-5-6-12(14)15-11/h3-7H,1-2H3/b13-11+.
What are the key properties of 5-(3,4-dimethylphenyl)iminofuran-2-one?
5-(3,4-dimethylphenyl)iminofuran-2-one has a molecular weight of 201.22 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)iminofuran-2-one is sourced from PubChem (CID 46881994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).