[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-4-trimethylsilyl-2H-furan-5-yl)methanone

C15H27NO3Si — CID 11141043

IUPAC[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-4-trimethylsilyl-2H-furan-5-yl)methanone
SMILESCOC[C@@H]1CCCN1C(=O)C1(C)OCC=C1[Si](C)(C)C
InChIInChI=1S/C15H27NO3Si/c1-15(13(8-10-19-15)20(3,4)5)14(17)16-9-6-7-12(16)11-18-2/h8,12H,6-7,9-11H2,1-5H3/t12-,15?/m0/s1
InChIKeyFFIOLQIOYZPYTD-SFVWDYPZSA-N
MW297.47 g/mol
LogP2.22
Rot. Bonds4

About [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-4-trimethylsilyl-2H-furan-5-yl)methanone

[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-4-trimethylsilyl-2H-furan-5-yl)methanone (PubChem CID 11141043) has the molecular formula C15H27NO3Si and a molecular weight of 297.47 g/mol. Its IUPAC name is [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-4-trimethylsilyl-2H-furan-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-4-trimethylsilyl-2H-furan-5-yl)methanone
PubChem CID11141043
Molecular FormulaC15H27NO3Si
Molecular Weight297.47 g/mol
Exact Mass297.18
IUPAC Name[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-4-trimethylsilyl-2H-furan-5-yl)methanone
SMILESCOC[C@@H]1CCCN1C(=O)C1(C)OCC=C1[Si](C)(C)C
InChIInChI=1S/C15H27NO3Si/c1-15(13(8-10-19-15)20(3,4)5)14(17)16-9-6-7-12(16)11-18-2/h8,12H,6-7,9-11H2,1-5H3/t12-,15?/m0/s1
InChIKeyFFIOLQIOYZPYTD-SFVWDYPZSA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-4-trimethylsilyl-2H-furan-5-yl)methanone?
The IUPAC name of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-4-trimethylsilyl-2H-furan-5-yl)methanone (CID 11141043) is [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-4-trimethylsilyl-2H-furan-5-yl)methanone.
What is the SMILES notation for [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-4-trimethylsilyl-2H-furan-5-yl)methanone?
The canonical SMILES for [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-4-trimethylsilyl-2H-furan-5-yl)methanone is COC[C@@H]1CCCN1C(=O)C1(C)OCC=C1[Si](C)(C)C.
What is the InChIKey of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-4-trimethylsilyl-2H-furan-5-yl)methanone?
The InChIKey is FFIOLQIOYZPYTD-SFVWDYPZSA-N. The full InChI is InChI=1S/C15H27NO3Si/c1-15(13(8-10-19-15)20(3,4)5)14(17)16-9-6-7-12(16)11-18-2/h8,12H,6-7,9-11H2,1-5H3/t12-,15?/m0/s1.
What are the key properties of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-4-trimethylsilyl-2H-furan-5-yl)methanone?
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-4-trimethylsilyl-2H-furan-5-yl)methanone has a molecular weight of 297.47 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-4-trimethylsilyl-2H-furan-5-yl)methanone is sourced from PubChem (CID 11141043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).