(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylpyrrolidin-2-one

C27H31NO2Si — CID 141398580

IUPAC(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylpyrrolidin-2-one
SMILESCC(C)(C)[Si](OC[C@H]1CC(=O)N[C@@H]1c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31NO2Si/c1-27(2,3)31(23-15-9-5-10-16-23,24-17-11-6-12-18-24)30-20-22-19-25(29)28-26(22)21-13-7-4-8-14-21/h4-18,22,26H,19-20H2,1-3H3,(H,28,29)/t22-,26-/m1/s1
InChIKeyNMDZZWJNLRAKDI-ATIYNZHBSA-N
MW429.64 g/mol
LogP4.44
Rot. Bonds6

About (4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylpyrrolidin-2-one

(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylpyrrolidin-2-one (PubChem CID 141398580) has the molecular formula C27H31NO2Si and a molecular weight of 429.64 g/mol. Its IUPAC name is (4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylpyrrolidin-2-one
PubChem CID141398580
Molecular FormulaC27H31NO2Si
Molecular Weight429.64 g/mol
Exact Mass429.21
IUPAC Name(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylpyrrolidin-2-one
SMILESCC(C)(C)[Si](OC[C@H]1CC(=O)N[C@@H]1c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31NO2Si/c1-27(2,3)31(23-15-9-5-10-16-23,24-17-11-6-12-18-24)30-20-22-19-25(29)28-26(22)21-13-7-4-8-14-21/h4-18,22,26H,19-20H2,1-3H3,(H,28,29)/t22-,26-/m1/s1
InChIKeyNMDZZWJNLRAKDI-ATIYNZHBSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.64
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-[tert-butyl(diphenyl)silyl]oxybutanamide
CID 11037409
(E,4S,6S,8S)-9-[tert-butyl(diphenyl)silyl]oxy-4,6,8-trimethyl-N-[(1S)-1-phenylethyl]non-2-enamide
CID 16084219
(2S)-N-benzyl-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-methylpent-4-enamide
CID 56953832
(6R)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidin-2-one
CID 134866999
(4S,5S)-1-benzyl-4-(tert-butyl-fluoro-phenylsilyl)oxy-5-phenylpyrrolidin-2-one
CID 11525174
4-(Hydroxymethyl)-3,3-diphenyl-1-(1-phenylethyl)-2-pyrrolidinone
CID 12822289
(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one
CID 58839404
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one
CID 58839420
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one
CID 71069255
(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one
CID 71069256
3-[Tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one
CID 72440247
(4R)-3-(ethylperoxymethyl)-4-[1-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclopropyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 87729259

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylpyrrolidin-2-one?
The IUPAC name of (4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylpyrrolidin-2-one (CID 141398580) is (4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylpyrrolidin-2-one?
The canonical SMILES for (4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylpyrrolidin-2-one is CC(C)(C)[Si](OC[C@H]1CC(=O)N[C@@H]1c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylpyrrolidin-2-one?
The InChIKey is NMDZZWJNLRAKDI-ATIYNZHBSA-N. The full InChI is InChI=1S/C27H31NO2Si/c1-27(2,3)31(23-15-9-5-10-16-23,24-17-11-6-12-18-24)30-20-22-19-25(29)28-26(22)21-13-7-4-8-14-21/h4-18,22,26H,19-20H2,1-3H3,(H,28,29)/t22-,26-/m1/s1.
What are the key properties of (4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylpyrrolidin-2-one?
(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylpyrrolidin-2-one has a molecular weight of 429.64 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 141398580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).