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

C17H31NO4Si — CID 11198635

IUPAC[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone
SMILESCOC[C@@H]1CC[C@@H](COC)N1C(=O)[C@@]1(C)OCC=C1[Si](C)(C)C
InChIInChI=1S/C17H31NO4Si/c1-17(15(9-10-22-17)23(4,5)6)16(19)18-13(11-20-2)7-8-14(18)12-21-3/h9,13-14H,7-8,10-12H2,1-6H3/t13-,14-,17-/m0/s1
InChIKeyMEMXXHZOYBMOIO-ZQIUZPCESA-N
MW341.52 g/mol
LogP2.23
Rot. Bonds6

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

[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone (PubChem CID 11198635) has the molecular formula C17H31NO4Si and a molecular weight of 341.52 g/mol. Its IUPAC name is [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone.

Molecular Properties

Compound Name[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone
PubChem CID11198635
Molecular FormulaC17H31NO4Si
Molecular Weight341.52 g/mol
Exact Mass341.20
IUPAC Name[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone
SMILESCOC[C@@H]1CC[C@@H](COC)N1C(=O)[C@@]1(C)OCC=C1[Si](C)(C)C
InChIInChI=1S/C17H31NO4Si/c1-17(15(9-10-22-17)23(4,5)6)16(19)18-13(11-20-2)7-8-14(18)12-21-3/h9,13-14H,7-8,10-12H2,1-6H3/t13-,14-,17-/m0/s1
InChIKeyMEMXXHZOYBMOIO-ZQIUZPCESA-N
XLogP2.23
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 52.23
H-Bond Donors ≤ 50
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 [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone?
The IUPAC name of [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone (CID 11198635) is [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone.
What is the SMILES notation for [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone?
The canonical SMILES for [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone is COC[C@@H]1CC[C@@H](COC)N1C(=O)[C@@]1(C)OCC=C1[Si](C)(C)C.
What is the InChIKey of [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone?
The InChIKey is MEMXXHZOYBMOIO-ZQIUZPCESA-N. The full InChI is InChI=1S/C17H31NO4Si/c1-17(15(9-10-22-17)23(4,5)6)16(19)18-13(11-20-2)7-8-14(18)12-21-3/h9,13-14H,7-8,10-12H2,1-6H3/t13-,14-,17-/m0/s1.
What are the key properties of [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone?
[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone has a molecular weight of 341.52 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone is sourced from PubChem (CID 11198635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).