(3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydropyridin-6-one

C22H27NO2Si — CID 59674742

IUPAC(3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydropyridin-6-one
SMILESCN1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CC1=O
InChIInChI=1S/C22H27NO2Si/c1-22(2,3)26(19-11-7-5-8-12-19,20-13-9-6-10-14-20)25-18-15-16-21(24)23(4)17-18/h5-16,18H,17H2,1-4H3/t18-/m0/s1
InChIKeyMIJLKGZNUUUOHQ-SFHVURJKSA-N
MW365.55 g/mol
LogP2.96
Rot. Bonds4

About (3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydropyridin-6-one

(3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydropyridin-6-one (PubChem CID 59674742) has the molecular formula C22H27NO2Si and a molecular weight of 365.55 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydropyridin-6-one
PubChem CID59674742
Molecular FormulaC22H27NO2Si
Molecular Weight365.55 g/mol
Exact Mass365.18
IUPAC Name(3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydropyridin-6-one
SMILESCN1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CC1=O
InChIInChI=1S/C22H27NO2Si/c1-22(2,3)26(19-11-7-5-8-12-19,20-13-9-6-10-14-20)25-18-15-16-21(24)23(4)17-18/h5-16,18H,17H2,1-4H3/t18-/m0/s1
InChIKeyMIJLKGZNUUUOHQ-SFHVURJKSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydropyridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydropyridin-6-one?
The IUPAC name of (3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydropyridin-6-one (CID 59674742) is (3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for (3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydropyridin-6-one?
The canonical SMILES for (3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydropyridin-6-one is CN1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CC1=O.
What is the InChIKey of (3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydropyridin-6-one?
The InChIKey is MIJLKGZNUUUOHQ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H27NO2Si/c1-22(2,3)26(19-11-7-5-8-12-19,20-13-9-6-10-14-20)25-18-15-16-21(24)23(4)17-18/h5-16,18H,17H2,1-4H3/t18-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydropyridin-6-one?
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydropyridin-6-one has a molecular weight of 365.55 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 59674742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).