(5S)-1-[(E)-3-trimethylsilylprop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one

C30H33NO3Si — CID 10413035

IUPAC(5S)-1-[(E)-3-trimethylsilylprop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one
SMILESC[Si](C)(C)/C=C/C(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33NO3Si/c1-35(2,3)22-21-29(33)31-27(19-20-28(31)32)23-34-30(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-18,21-22,27H,19-20,23H2,1-3H3/b22-21+/t27-/m0/s1
InChIKeyBTNJANKPOQGJCD-BZNVDEBGSA-N
MW483.68 g/mol
LogP5.95
Rot. Bonds8

About (5S)-1-[(E)-3-trimethylsilylprop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one

(5S)-1-[(E)-3-trimethylsilylprop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one (PubChem CID 10413035) has the molecular formula C30H33NO3Si and a molecular weight of 483.68 g/mol. Its IUPAC name is (5S)-1-[(E)-3-trimethylsilylprop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[(E)-3-trimethylsilylprop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one
PubChem CID10413035
Molecular FormulaC30H33NO3Si
Molecular Weight483.68 g/mol
Exact Mass483.22
IUPAC Name(5S)-1-[(E)-3-trimethylsilylprop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one
SMILESC[Si](C)(C)/C=C/C(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33NO3Si/c1-35(2,3)22-21-29(33)31-27(19-20-28(31)32)23-34-30(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-18,21-22,27H,19-20,23H2,1-3H3/b22-21+/t27-/m0/s1
InChIKeyBTNJANKPOQGJCD-BZNVDEBGSA-N
XLogP5.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.68
LogP ≤ 55.95
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-trimethylsilylprop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-1-[(E)-3-trimethylsilylprop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one (CID 10413035) is (5S)-1-[(E)-3-trimethylsilylprop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-[(E)-3-trimethylsilylprop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-1-[(E)-3-trimethylsilylprop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one is C[Si](C)(C)/C=C/C(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5S)-1-[(E)-3-trimethylsilylprop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
The InChIKey is BTNJANKPOQGJCD-BZNVDEBGSA-N. The full InChI is InChI=1S/C30H33NO3Si/c1-35(2,3)22-21-29(33)31-27(19-20-28(31)32)23-34-30(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-18,21-22,27H,19-20,23H2,1-3H3/b22-21+/t27-/m0/s1.
What are the key properties of (5S)-1-[(E)-3-trimethylsilylprop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
(5S)-1-[(E)-3-trimethylsilylprop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one has a molecular weight of 483.68 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[(E)-3-trimethylsilylprop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 10413035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).