(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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Related Compounds

(S)-(+)-5-(Trityloxymethyl)-2-pyrrolidinone
CID 2733644
tert-butyl (3R,5S)-3-fluoro-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
CID 11005272
(5S)-1-[(E)-but-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one
CID 9979851
(4R)-1-[(1S)-1-phenylethyl]-4-phenylmethoxypyrrolidin-2-one
CID 134918156
(2S,4R,5S)-3-benzyl-2,4,5-triphenyl-1,3-oxazolidine
CID 134925492
(4S,5R)-3-((2R,3R)-2,3-Dimethyl-hexanoyl)-4,5-diphenyl-oxazolidin-2-one
CID 25232465
trans-(2R,3R)-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-2-(phenylmethoxymethyl)cyclobutane-1-carbaldehyde
CID 400575
(2R,5S,10S,13R)-2,10-diphenyl-3,11-dioxa-1,9-diazatricyclo[11.3.0.05,9]hexadecane-8,16-dione
CID 13573806
tert-butyl (3S,5S)-3-fluoro-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
CID 11016235
1-[(1R,2R)-2-(cyclopropylmethoxy)-1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one
CID 12003385
1-[(1S,2R)-2-(cyclopropylmethoxy)-1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one
CID 12003478
1-[(1S,2R)-2-(4-fluorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one
CID 12003586

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).