(2R)-1-benzyl-2-(trityloxymethyl)-2,5-dihydropyridin-6-one

C32H29NO2 — CID 102111996

IUPAC(2R)-1-benzyl-2-(trityloxymethyl)-2,5-dihydropyridin-6-one
SMILESO=C1CC=C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C32H29NO2/c34-31-23-13-22-30(33(31)24-26-14-5-1-6-15-26)25-35-32(27-16-7-2-8-17-27,28-18-9-3-10-19-28)29-20-11-4-12-21-29/h1-22,30H,23-25H2/t30-/m1/s1
InChIKeyXMXOLJALRBNXHC-SSEXGKCCSA-N
MW459.59 g/mol
LogP6.35
Rot. Bonds8

About (2R)-1-benzyl-2-(trityloxymethyl)-2,5-dihydropyridin-6-one

(2R)-1-benzyl-2-(trityloxymethyl)-2,5-dihydropyridin-6-one (PubChem CID 102111996) has the molecular formula C32H29NO2 and a molecular weight of 459.59 g/mol. Its IUPAC name is (2R)-1-benzyl-2-(trityloxymethyl)-2,5-dihydropyridin-6-one.

Molecular Properties

Compound Name(2R)-1-benzyl-2-(trityloxymethyl)-2,5-dihydropyridin-6-one
PubChem CID102111996
Molecular FormulaC32H29NO2
Molecular Weight459.59 g/mol
Exact Mass459.22
IUPAC Name(2R)-1-benzyl-2-(trityloxymethyl)-2,5-dihydropyridin-6-one
SMILESO=C1CC=C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C32H29NO2/c34-31-23-13-22-30(33(31)24-26-14-5-1-6-15-26)25-35-32(27-16-7-2-8-17-27,28-18-9-3-10-19-28)29-20-11-4-12-21-29/h1-22,30H,23-25H2/t30-/m1/s1
InChIKeyXMXOLJALRBNXHC-SSEXGKCCSA-N
XLogP6.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-2-(trityloxymethyl)-2,5-dihydropyridin-6-one?
The IUPAC name of (2R)-1-benzyl-2-(trityloxymethyl)-2,5-dihydropyridin-6-one (CID 102111996) is (2R)-1-benzyl-2-(trityloxymethyl)-2,5-dihydropyridin-6-one.
What is the SMILES notation for (2R)-1-benzyl-2-(trityloxymethyl)-2,5-dihydropyridin-6-one?
The canonical SMILES for (2R)-1-benzyl-2-(trityloxymethyl)-2,5-dihydropyridin-6-one is O=C1CC=C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-2-(trityloxymethyl)-2,5-dihydropyridin-6-one?
The InChIKey is XMXOLJALRBNXHC-SSEXGKCCSA-N. The full InChI is InChI=1S/C32H29NO2/c34-31-23-13-22-30(33(31)24-26-14-5-1-6-15-26)25-35-32(27-16-7-2-8-17-27,28-18-9-3-10-19-28)29-20-11-4-12-21-29/h1-22,30H,23-25H2/t30-/m1/s1.
What are the key properties of (2R)-1-benzyl-2-(trityloxymethyl)-2,5-dihydropyridin-6-one?
(2R)-1-benzyl-2-(trityloxymethyl)-2,5-dihydropyridin-6-one has a molecular weight of 459.59 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-2-(trityloxymethyl)-2,5-dihydropyridin-6-one is sourced from PubChem (CID 102111996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).