(3R,4R)-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidine-2,5-dione

C25H31NO4Si — CID 134872210

IUPAC(3R,4R)-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidine-2,5-dione
SMILESC[Si](C)(C)/C=C\CCN1C(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C1=O
InChIInChI=1S/C25H31NO4Si/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/h4-9,11-15,17,22-23H,10,16,18-19H2,1-3H3/b17-11-/t22-,23-/m1/s1
InChIKeyBLBADQMEPWCRPW-DMEDHGNASA-N
MW437.61 g/mol
LogP4.35
Rot. Bonds10

About (3R,4R)-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidine-2,5-dione

(3R,4R)-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidine-2,5-dione (PubChem CID 134872210) has the molecular formula C25H31NO4Si and a molecular weight of 437.61 g/mol. Its IUPAC name is (3R,4R)-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4R)-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidine-2,5-dione
PubChem CID134872210
Molecular FormulaC25H31NO4Si
Molecular Weight437.61 g/mol
Exact Mass437.20
IUPAC Name(3R,4R)-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidine-2,5-dione
SMILESC[Si](C)(C)/C=C\CCN1C(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C1=O
InChIInChI=1S/C25H31NO4Si/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/h4-9,11-15,17,22-23H,10,16,18-19H2,1-3H3/b17-11-/t22-,23-/m1/s1
InChIKeyBLBADQMEPWCRPW-DMEDHGNASA-N
XLogP4.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (3R,4R)-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidine-2,5-dione with MolForge

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Related Compounds

(3S)-1-Benzyl-3-(benzyloxy)pyrrolidine-2,5-dione
CID 11033761
2-(2-methoxyethoxy)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone
CID 164638353
(3R,4R)-1-but-3-enyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione
CID 14503836
(4R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-phenylmethoxypyrrolidin-2-one
CID 57332182
(4S)-3-[(2R)-3-phenylmethoxy-2-triethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101069820
(2R,3R)-1-[(4S)-4-benzyl-2-sulfanylidene-1,3-oxazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxyhexan-1-one
CID 101520607
(2R,3R)-N,N'-dimethoxy-N,N'-dimethyl-2,3-bis(phenylmethoxy)butanediamide
CID 102342659
(2R,3R)-N-methoxy-N-methyl-4-oxo-2,3-bis(phenylmethoxy)pentanamide
CID 102342660
(s)-1-Benzyloxycarbonyl-3-(t-butyldimethylsilyloxy)-2-pyrrolidinone
CID 129822840
(r)-4-Benzyloxymethyl-3-[(2r,3s)-(e)-3-methoxy-5-phenyl-2-methylpent-4-enoyl]oxazolidin-2-one
CID 129822983
(r)-4-Benzyloxymethyl-3-[(2r,3r)-(e)-3-methoxy-5-phenyl-2-methylpent-4-enoyl]oxazolidin-2-one
CID 129822985
(3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione
CID 134872145

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R,4R)-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidine-2,5-dione (CID 134872210) is (3R,4R)-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4R)-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R,4R)-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidine-2,5-dione is C[Si](C)(C)/C=C\CCN1C(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C1=O.
What is the InChIKey of (3R,4R)-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidine-2,5-dione?
The InChIKey is BLBADQMEPWCRPW-DMEDHGNASA-N. The full InChI is InChI=1S/C25H31NO4Si/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/h4-9,11-15,17,22-23H,10,16,18-19H2,1-3H3/b17-11-/t22-,23-/m1/s1.
What are the key properties of (3R,4R)-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidine-2,5-dione?
(3R,4R)-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidine-2,5-dione has a molecular weight of 437.61 g/mol, XLogP of 4.35, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 134872210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).