(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[2-(2-methylpyrazol-3-yl)oxyethyl]pyrrolidin-2-one

C16H29N3O3Si — CID 170618581

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[2-(2-methylpyrazol-3-yl)oxyethyl]pyrrolidin-2-one
SMILESCn1nccc1OCCN1CC[C@H](O[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C16H29N3O3Si/c1-16(2,3)23(5,6)22-13-8-10-19(15(13)20)11-12-21-14-7-9-17-18(14)4/h7,9,13H,8,10-12H2,1-6H3/t13-/m0/s1
InChIKeyNWZVSJGEZZTTPF-ZDUSSCGKSA-N
MW339.51 g/mol
LogP2.42
Rot. Bonds6

About (3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[2-(2-methylpyrazol-3-yl)oxyethyl]pyrrolidin-2-one

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[2-(2-methylpyrazol-3-yl)oxyethyl]pyrrolidin-2-one (PubChem CID 170618581) has the molecular formula C16H29N3O3Si and a molecular weight of 339.51 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[2-(2-methylpyrazol-3-yl)oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[2-(2-methylpyrazol-3-yl)oxyethyl]pyrrolidin-2-one
PubChem CID170618581
Molecular FormulaC16H29N3O3Si
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[2-(2-methylpyrazol-3-yl)oxyethyl]pyrrolidin-2-one
SMILESCn1nccc1OCCN1CC[C@H](O[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C16H29N3O3Si/c1-16(2,3)23(5,6)22-13-8-10-19(15(13)20)11-12-21-14-7-9-17-18(14)4/h7,9,13H,8,10-12H2,1-6H3/t13-/m0/s1
InChIKeyNWZVSJGEZZTTPF-ZDUSSCGKSA-N
XLogP2.42
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[2-(2-methylpyrazol-3-yl)oxyethyl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[2-(2-methylpyrazol-3-yl)oxyethyl]pyrrolidin-2-one (CID 170618581) is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[2-(2-methylpyrazol-3-yl)oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[2-(2-methylpyrazol-3-yl)oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[2-(2-methylpyrazol-3-yl)oxyethyl]pyrrolidin-2-one is Cn1nccc1OCCN1CC[C@H](O[Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[2-(2-methylpyrazol-3-yl)oxyethyl]pyrrolidin-2-one?
The InChIKey is NWZVSJGEZZTTPF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H29N3O3Si/c1-16(2,3)23(5,6)22-13-8-10-19(15(13)20)11-12-21-14-7-9-17-18(14)4/h7,9,13H,8,10-12H2,1-6H3/t13-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[2-(2-methylpyrazol-3-yl)oxyethyl]pyrrolidin-2-one?
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[2-(2-methylpyrazol-3-yl)oxyethyl]pyrrolidin-2-one has a molecular weight of 339.51 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[2-(2-methylpyrazol-3-yl)oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 170618581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).