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

C14H25NO3Si — CID 11022413

IUPAC[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone
SMILESC[C@]1(C(=O)N2CCC[C@H]2CO)OCC=C1[Si](C)(C)C
InChIInChI=1S/C14H25NO3Si/c1-14(12(7-9-18-14)19(2,3)4)13(17)15-8-5-6-11(15)10-16/h7,11,16H,5-6,8-10H2,1-4H3/t11-,14-/m0/s1
InChIKeyWBIDKOHPQBGGKG-FZMZJTMJSA-N
MW283.44 g/mol
LogP1.56
Rot. Bonds3

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

[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone (PubChem CID 11022413) has the molecular formula C14H25NO3Si and a molecular weight of 283.44 g/mol. Its IUPAC name is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone
PubChem CID11022413
Molecular FormulaC14H25NO3Si
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone
SMILESC[C@]1(C(=O)N2CCC[C@H]2CO)OCC=C1[Si](C)(C)C
InChIInChI=1S/C14H25NO3Si/c1-14(12(7-9-18-14)19(2,3)4)13(17)15-8-5-6-11(15)10-16/h7,11,16H,5-6,8-10H2,1-4H3/t11-,14-/m0/s1
InChIKeyWBIDKOHPQBGGKG-FZMZJTMJSA-N
XLogP1.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
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-(hydroxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone?
The IUPAC name of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone (CID 11022413) is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone.
What is the SMILES notation for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone?
The canonical SMILES for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone is C[C@]1(C(=O)N2CCC[C@H]2CO)OCC=C1[Si](C)(C)C.
What is the InChIKey of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone?
The InChIKey is WBIDKOHPQBGGKG-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H25NO3Si/c1-14(12(7-9-18-14)19(2,3)4)13(17)15-8-5-6-11(15)10-16/h7,11,16H,5-6,8-10H2,1-4H3/t11-,14-/m0/s1.
What are the key properties of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone?
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone has a molecular weight of 283.44 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone is sourced from PubChem (CID 11022413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).