(2R,3S)-3,4-dimethyl-2-phenyl-5-triethylsilyl-2,3-dihydro-1H-pyridin-6-one

C19H29NOSi — CID 101052285

IUPAC(2R,3S)-3,4-dimethyl-2-phenyl-5-triethylsilyl-2,3-dihydro-1H-pyridin-6-one
SMILESCC[Si](CC)(CC)C1=C(C)[C@H](C)[C@H](c2ccccc2)NC1=O
InChIInChI=1S/C19H29NOSi/c1-6-22(7-2,8-3)18-15(5)14(4)17(20-19(18)21)16-12-10-9-11-13-16/h9-14,17H,6-8H2,1-5H3,(H,20,21)/t14-,17+/m0/s1
InChIKeyURXVFORUYQXMBJ-WMLDXEAASA-N
MW315.53 g/mol
LogP4.86
Rot. Bonds5

About (2R,3S)-3,4-dimethyl-2-phenyl-5-triethylsilyl-2,3-dihydro-1H-pyridin-6-one

(2R,3S)-3,4-dimethyl-2-phenyl-5-triethylsilyl-2,3-dihydro-1H-pyridin-6-one (PubChem CID 101052285) has the molecular formula C19H29NOSi and a molecular weight of 315.53 g/mol. Its IUPAC name is (2R,3S)-3,4-dimethyl-2-phenyl-5-triethylsilyl-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name(2R,3S)-3,4-dimethyl-2-phenyl-5-triethylsilyl-2,3-dihydro-1H-pyridin-6-one
PubChem CID101052285
Molecular FormulaC19H29NOSi
Molecular Weight315.53 g/mol
Exact Mass315.20
IUPAC Name(2R,3S)-3,4-dimethyl-2-phenyl-5-triethylsilyl-2,3-dihydro-1H-pyridin-6-one
SMILESCC[Si](CC)(CC)C1=C(C)[C@H](C)[C@H](c2ccccc2)NC1=O
InChIInChI=1S/C19H29NOSi/c1-6-22(7-2,8-3)18-15(5)14(4)17(20-19(18)21)16-12-10-9-11-13-16/h9-14,17H,6-8H2,1-5H3,(H,20,21)/t14-,17+/m0/s1
InChIKeyURXVFORUYQXMBJ-WMLDXEAASA-N
XLogP4.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.53
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3,4-dimethyl-2-phenyl-5-triethylsilyl-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of (2R,3S)-3,4-dimethyl-2-phenyl-5-triethylsilyl-2,3-dihydro-1H-pyridin-6-one (CID 101052285) is (2R,3S)-3,4-dimethyl-2-phenyl-5-triethylsilyl-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for (2R,3S)-3,4-dimethyl-2-phenyl-5-triethylsilyl-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for (2R,3S)-3,4-dimethyl-2-phenyl-5-triethylsilyl-2,3-dihydro-1H-pyridin-6-one is CC[Si](CC)(CC)C1=C(C)[C@H](C)[C@H](c2ccccc2)NC1=O.
What is the InChIKey of (2R,3S)-3,4-dimethyl-2-phenyl-5-triethylsilyl-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is URXVFORUYQXMBJ-WMLDXEAASA-N. The full InChI is InChI=1S/C19H29NOSi/c1-6-22(7-2,8-3)18-15(5)14(4)17(20-19(18)21)16-12-10-9-11-13-16/h9-14,17H,6-8H2,1-5H3,(H,20,21)/t14-,17+/m0/s1.
What are the key properties of (2R,3S)-3,4-dimethyl-2-phenyl-5-triethylsilyl-2,3-dihydro-1H-pyridin-6-one?
(2R,3S)-3,4-dimethyl-2-phenyl-5-triethylsilyl-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 315.53 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3,4-dimethyl-2-phenyl-5-triethylsilyl-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 101052285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).