(5R)-5-(methoxymethyl)-1-(2-triphenylsilyloxyphenyl)pyrrolidin-2-one

C30H29NO3Si — CID 101019877

IUPAC(5R)-5-(methoxymethyl)-1-(2-triphenylsilyloxyphenyl)pyrrolidin-2-one
SMILESCOC[C@H]1CCC(=O)N1c1ccccc1O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H29NO3Si/c1-33-23-24-21-22-30(32)31(24)28-19-11-12-20-29(28)34-35(25-13-5-2-6-14-25,26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-20,24H,21-23H2,1H3/t24-/m1/s1
InChIKeyVLXGABCVRXNWPI-XMMPIXPASA-N
MW479.65 g/mol
LogP3.87
Rot. Bonds8

About (5R)-5-(methoxymethyl)-1-(2-triphenylsilyloxyphenyl)pyrrolidin-2-one

(5R)-5-(methoxymethyl)-1-(2-triphenylsilyloxyphenyl)pyrrolidin-2-one (PubChem CID 101019877) has the molecular formula C30H29NO3Si and a molecular weight of 479.65 g/mol. Its IUPAC name is (5R)-5-(methoxymethyl)-1-(2-triphenylsilyloxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(methoxymethyl)-1-(2-triphenylsilyloxyphenyl)pyrrolidin-2-one
PubChem CID101019877
Molecular FormulaC30H29NO3Si
Molecular Weight479.65 g/mol
Exact Mass479.19
IUPAC Name(5R)-5-(methoxymethyl)-1-(2-triphenylsilyloxyphenyl)pyrrolidin-2-one
SMILESCOC[C@H]1CCC(=O)N1c1ccccc1O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H29NO3Si/c1-33-23-24-21-22-30(32)31(24)28-19-11-12-20-29(28)34-35(25-13-5-2-6-14-25,26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-20,24H,21-23H2,1H3/t24-/m1/s1
InChIKeyVLXGABCVRXNWPI-XMMPIXPASA-N
XLogP3.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.65
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(methoxymethyl)-1-(2-triphenylsilyloxyphenyl)pyrrolidin-2-one?
The IUPAC name of (5R)-5-(methoxymethyl)-1-(2-triphenylsilyloxyphenyl)pyrrolidin-2-one (CID 101019877) is (5R)-5-(methoxymethyl)-1-(2-triphenylsilyloxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-(methoxymethyl)-1-(2-triphenylsilyloxyphenyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-5-(methoxymethyl)-1-(2-triphenylsilyloxyphenyl)pyrrolidin-2-one is COC[C@H]1CCC(=O)N1c1ccccc1O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5R)-5-(methoxymethyl)-1-(2-triphenylsilyloxyphenyl)pyrrolidin-2-one?
The InChIKey is VLXGABCVRXNWPI-XMMPIXPASA-N. The full InChI is InChI=1S/C30H29NO3Si/c1-33-23-24-21-22-30(32)31(24)28-19-11-12-20-29(28)34-35(25-13-5-2-6-14-25,26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-20,24H,21-23H2,1H3/t24-/m1/s1.
What are the key properties of (5R)-5-(methoxymethyl)-1-(2-triphenylsilyloxyphenyl)pyrrolidin-2-one?
(5R)-5-(methoxymethyl)-1-(2-triphenylsilyloxyphenyl)pyrrolidin-2-one has a molecular weight of 479.65 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(methoxymethyl)-1-(2-triphenylsilyloxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 101019877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).