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

C41H41NO3Si — CID 10077663

IUPAC(5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-3-phenylpropanoyl]-5-(trityloxymethyl)pyrrolidin-2-one
SMILESC[Si](C)(c1ccccc1)[C@@H](CC(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C41H41NO3Si/c1-46(2,37-26-16-7-17-27-37)38(32-18-8-3-9-19-32)30-40(44)42-36(28-29-39(42)43)31-45-41(33-20-10-4-11-21-33,34-22-12-5-13-23-34)35-24-14-6-15-25-35/h3-27,36,38H,28-31H2,1-2H3/t36-,38-/m0/s1
InChIKeyMEGRXMCKBCUXCG-BAEGBANDSA-N
MW623.87 g/mol
LogP7.84
Rot. Bonds11

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

(5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-3-phenylpropanoyl]-5-(trityloxymethyl)pyrrolidin-2-one (PubChem CID 10077663) has the molecular formula C41H41NO3Si and a molecular weight of 623.87 g/mol. Its IUPAC name is (5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-3-phenylpropanoyl]-5-(trityloxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-3-phenylpropanoyl]-5-(trityloxymethyl)pyrrolidin-2-one
PubChem CID10077663
Molecular FormulaC41H41NO3Si
Molecular Weight623.87 g/mol
Exact Mass623.29
IUPAC Name(5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-3-phenylpropanoyl]-5-(trityloxymethyl)pyrrolidin-2-one
SMILESC[Si](C)(c1ccccc1)[C@@H](CC(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C41H41NO3Si/c1-46(2,37-26-16-7-17-27-37)38(32-18-8-3-9-19-32)30-40(44)42-36(28-29-39(42)43)31-45-41(33-20-10-4-11-21-33,34-22-12-5-13-23-34)35-24-14-6-15-25-35/h3-27,36,38H,28-31H2,1-2H3/t36-,38-/m0/s1
InChIKeyMEGRXMCKBCUXCG-BAEGBANDSA-N
XLogP7.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.87
LogP ≤ 57.84
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 (5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-3-phenylpropanoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-3-phenylpropanoyl]-5-(trityloxymethyl)pyrrolidin-2-one (CID 10077663) is (5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-3-phenylpropanoyl]-5-(trityloxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-3-phenylpropanoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-3-phenylpropanoyl]-5-(trityloxymethyl)pyrrolidin-2-one is C[Si](C)(c1ccccc1)[C@@H](CC(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-3-phenylpropanoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
The InChIKey is MEGRXMCKBCUXCG-BAEGBANDSA-N. The full InChI is InChI=1S/C41H41NO3Si/c1-46(2,37-26-16-7-17-27-37)38(32-18-8-3-9-19-32)30-40(44)42-36(28-29-39(42)43)31-45-41(33-20-10-4-11-21-33,34-22-12-5-13-23-34)35-24-14-6-15-25-35/h3-27,36,38H,28-31H2,1-2H3/t36-,38-/m0/s1.
What are the key properties of (5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-3-phenylpropanoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
(5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-3-phenylpropanoyl]-5-(trityloxymethyl)pyrrolidin-2-one has a molecular weight of 623.87 g/mol, XLogP of 7.84, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-3-phenylpropanoyl]-5-(trityloxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 10077663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).