5-amino-2-(2,3-dichlorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one

C14H17Cl2NO3Si — CID 90082115

IUPAC5-amino-2-(2,3-dichlorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one
SMILESCC1(c2cccc(Cl)c2Cl)OC(N)=C(O[Si](C)(C)C)C1=O
InChIInChI=1S/C14H17Cl2NO3Si/c1-14(8-6-5-7-9(15)10(8)16)12(18)11(13(17)19-14)20-21(2,3)4/h5-7H,17H2,1-4H3
InChIKeySDLUYEAYWUSXLS-UHFFFAOYSA-N
MW346.29 g/mol
LogP3.79
Rot. Bonds3

About 5-amino-2-(2,3-dichlorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one

5-amino-2-(2,3-dichlorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one (PubChem CID 90082115) has the molecular formula C14H17Cl2NO3Si and a molecular weight of 346.29 g/mol. Its IUPAC name is 5-amino-2-(2,3-dichlorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one.

Molecular Properties

Compound Name5-amino-2-(2,3-dichlorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one
PubChem CID90082115
Molecular FormulaC14H17Cl2NO3Si
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC Name5-amino-2-(2,3-dichlorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one
SMILESCC1(c2cccc(Cl)c2Cl)OC(N)=C(O[Si](C)(C)C)C1=O
InChIInChI=1S/C14H17Cl2NO3Si/c1-14(8-6-5-7-9(15)10(8)16)12(18)11(13(17)19-14)20-21(2,3)4/h5-7H,17H2,1-4H3
InChIKeySDLUYEAYWUSXLS-UHFFFAOYSA-N
XLogP3.79
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,3-dichlorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one?
The IUPAC name of 5-amino-2-(2,3-dichlorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one (CID 90082115) is 5-amino-2-(2,3-dichlorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one.
What is the SMILES notation for 5-amino-2-(2,3-dichlorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one?
The canonical SMILES for 5-amino-2-(2,3-dichlorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one is CC1(c2cccc(Cl)c2Cl)OC(N)=C(O[Si](C)(C)C)C1=O.
What is the InChIKey of 5-amino-2-(2,3-dichlorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one?
The InChIKey is SDLUYEAYWUSXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3Si/c1-14(8-6-5-7-9(15)10(8)16)12(18)11(13(17)19-14)20-21(2,3)4/h5-7H,17H2,1-4H3.
What are the key properties of 5-amino-2-(2,3-dichlorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one?
5-amino-2-(2,3-dichlorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one has a molecular weight of 346.29 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,3-dichlorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one is sourced from PubChem (CID 90082115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).