4-anilino-5,5-dimethylfuran-2-one

C12H13NO2 — CID 10442869

IUPAC4-anilino-5,5-dimethylfuran-2-one
SMILESCC1(C)OC(=O)C=C1Nc1ccccc1
InChIInChI=1S/C12H13NO2/c1-12(2)10(8-11(14)15-12)13-9-6-4-3-5-7-9/h3-8,13H,1-2H3
InChIKeyQVDSKLILKGFPOM-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.32
Rot. Bonds2

About 4-anilino-5,5-dimethylfuran-2-one

4-anilino-5,5-dimethylfuran-2-one (PubChem CID 10442869) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-anilino-5,5-dimethylfuran-2-one.

Molecular Properties

Compound Name4-anilino-5,5-dimethylfuran-2-one
PubChem CID10442869
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-anilino-5,5-dimethylfuran-2-one
SMILESCC1(C)OC(=O)C=C1Nc1ccccc1
InChIInChI=1S/C12H13NO2/c1-12(2)10(8-11(14)15-12)13-9-6-4-3-5-7-9/h3-8,13H,1-2H3
InChIKeyQVDSKLILKGFPOM-UHFFFAOYSA-N
XLogP2.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-5,5-dimethylfuran-2-one?
The IUPAC name of 4-anilino-5,5-dimethylfuran-2-one (CID 10442869) is 4-anilino-5,5-dimethylfuran-2-one.
What is the SMILES notation for 4-anilino-5,5-dimethylfuran-2-one?
The canonical SMILES for 4-anilino-5,5-dimethylfuran-2-one is CC1(C)OC(=O)C=C1Nc1ccccc1.
What is the InChIKey of 4-anilino-5,5-dimethylfuran-2-one?
The InChIKey is QVDSKLILKGFPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-12(2)10(8-11(14)15-12)13-9-6-4-3-5-7-9/h3-8,13H,1-2H3.
What are the key properties of 4-anilino-5,5-dimethylfuran-2-one?
4-anilino-5,5-dimethylfuran-2-one has a molecular weight of 203.24 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-5,5-dimethylfuran-2-one is sourced from PubChem (CID 10442869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).