(5S)-1-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one

C35H35NO3Si — CID 10325147

IUPAC(5S)-1-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one
SMILESC[Si](C)(/C=C/C(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C35H35NO3Si/c1-40(2,32-21-13-6-14-22-32)26-25-34(38)36-31(23-24-33(36)37)27-39-35(28-15-7-3-8-16-28,29-17-9-4-10-18-29)30-19-11-5-12-20-30/h3-22,25-26,31H,23-24,27H2,1-2H3/b26-25+/t31-/m0/s1
InChIKeyMHSULWRBOGLSKG-JHAOWHOOSA-N
MW545.76 g/mol
LogP6.22
Rot. Bonds9

About (5S)-1-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one

(5S)-1-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one (PubChem CID 10325147) has the molecular formula C35H35NO3Si and a molecular weight of 545.76 g/mol. Its IUPAC name is (5S)-1-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one
PubChem CID10325147
Molecular FormulaC35H35NO3Si
Molecular Weight545.76 g/mol
Exact Mass545.24
IUPAC Name(5S)-1-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one
SMILESC[Si](C)(/C=C/C(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C35H35NO3Si/c1-40(2,32-21-13-6-14-22-32)26-25-34(38)36-31(23-24-33(36)37)27-39-35(28-15-7-3-8-16-28,29-17-9-4-10-18-29)30-19-11-5-12-20-30/h3-22,25-26,31H,23-24,27H2,1-2H3/b26-25+/t31-/m0/s1
InChIKeyMHSULWRBOGLSKG-JHAOWHOOSA-N
XLogP6.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.76
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-1-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one (CID 10325147) is (5S)-1-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-1-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one is C[Si](C)(/C=C/C(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (5S)-1-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
The InChIKey is MHSULWRBOGLSKG-JHAOWHOOSA-N. The full InChI is InChI=1S/C35H35NO3Si/c1-40(2,32-21-13-6-14-22-32)26-25-34(38)36-31(23-24-33(36)37)27-39-35(28-15-7-3-8-16-28,29-17-9-4-10-18-29)30-19-11-5-12-20-30/h3-22,25-26,31H,23-24,27H2,1-2H3/b26-25+/t31-/m0/s1.
What are the key properties of (5S)-1-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
(5S)-1-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one has a molecular weight of 545.76 g/mol, XLogP of 6.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 10325147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).