(3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidin-2-one

C25H33NO4Si — CID 134918462

IUPAC(3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidin-2-one
SMILESC[Si](C)(C)/C=C\CCN1C(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C1O
InChIInChI=1S/C25H33NO4Si/c1-31(2,3)17-11-10-16-26-24(27)22(29-18-20-12-6-4-7-13-20)23(25(26)28)30-19-21-14-8-5-9-15-21/h4-9,11-15,17,22-24,27H,10,16,18-19H2,1-3H3/b17-11-/t22-,23-,24?/m1/s1
InChIKeyXLQBVZANNQPFDJ-LOSTWIIJSA-N
MW439.63 g/mol
LogP4.14
Rot. Bonds10

About (3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidin-2-one

(3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidin-2-one (PubChem CID 134918462) has the molecular formula C25H33NO4Si and a molecular weight of 439.63 g/mol. Its IUPAC name is (3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidin-2-one
PubChem CID134918462
Molecular FormulaC25H33NO4Si
Molecular Weight439.63 g/mol
Exact Mass439.22
IUPAC Name(3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidin-2-one
SMILESC[Si](C)(C)/C=C\CCN1C(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C1O
InChIInChI=1S/C25H33NO4Si/c1-31(2,3)17-11-10-16-26-24(27)22(29-18-20-12-6-4-7-13-20)23(25(26)28)30-19-21-14-8-5-9-15-21/h4-9,11-15,17,22-24,27H,10,16,18-19H2,1-3H3/b17-11-/t22-,23-,24?/m1/s1
InChIKeyXLQBVZANNQPFDJ-LOSTWIIJSA-N
XLogP4.14
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.63
LogP ≤ 54.14
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 (3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidin-2-one?
The IUPAC name of (3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidin-2-one (CID 134918462) is (3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidin-2-one.
What is the SMILES notation for (3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidin-2-one?
The canonical SMILES for (3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidin-2-one is C[Si](C)(C)/C=C\CCN1C(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C1O.
What is the InChIKey of (3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidin-2-one?
The InChIKey is XLQBVZANNQPFDJ-LOSTWIIJSA-N. The full InChI is InChI=1S/C25H33NO4Si/c1-31(2,3)17-11-10-16-26-24(27)22(29-18-20-12-6-4-7-13-20)23(25(26)28)30-19-21-14-8-5-9-15-21/h4-9,11-15,17,22-24,27H,10,16,18-19H2,1-3H3/b17-11-/t22-,23-,24?/m1/s1.
What are the key properties of (3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidin-2-one?
(3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidin-2-one has a molecular weight of 439.63 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidin-2-one is sourced from PubChem (CID 134918462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).