(5S)-1-benzyl-5-(trityloxymethyl)pyrrolidin-2-one

C31H29NO2 — CID 11730024

IUPAC(5S)-1-benzyl-5-(trityloxymethyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C31H29NO2/c33-30-22-21-29(32(30)23-25-13-5-1-6-14-25)24-34-31(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29H,21-24H2/t29-/m0/s1
InChIKeyWDOUZYOKKIKCKX-LJAQVGFWSA-N
MW447.58 g/mol
LogP6.19
Rot. Bonds8

About (5S)-1-benzyl-5-(trityloxymethyl)pyrrolidin-2-one

(5S)-1-benzyl-5-(trityloxymethyl)pyrrolidin-2-one (PubChem CID 11730024) has the molecular formula C31H29NO2 and a molecular weight of 447.58 g/mol. Its IUPAC name is (5S)-1-benzyl-5-(trityloxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-benzyl-5-(trityloxymethyl)pyrrolidin-2-one
PubChem CID11730024
Molecular FormulaC31H29NO2
Molecular Weight447.58 g/mol
Exact Mass447.22
IUPAC Name(5S)-1-benzyl-5-(trityloxymethyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C31H29NO2/c33-30-22-21-29(32(30)23-25-13-5-1-6-14-25)24-34-31(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29H,21-24H2/t29-/m0/s1
InChIKeyWDOUZYOKKIKCKX-LJAQVGFWSA-N
XLogP6.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-benzyl-5-(trityloxymethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-1-benzyl-5-(trityloxymethyl)pyrrolidin-2-one (CID 11730024) is (5S)-1-benzyl-5-(trityloxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-benzyl-5-(trityloxymethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-1-benzyl-5-(trityloxymethyl)pyrrolidin-2-one is O=C1CC[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (5S)-1-benzyl-5-(trityloxymethyl)pyrrolidin-2-one?
The InChIKey is WDOUZYOKKIKCKX-LJAQVGFWSA-N. The full InChI is InChI=1S/C31H29NO2/c33-30-22-21-29(32(30)23-25-13-5-1-6-14-25)24-34-31(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29H,21-24H2/t29-/m0/s1.
What are the key properties of (5S)-1-benzyl-5-(trityloxymethyl)pyrrolidin-2-one?
(5S)-1-benzyl-5-(trityloxymethyl)pyrrolidin-2-one has a molecular weight of 447.58 g/mol, XLogP of 6.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-5-(trityloxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 11730024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).