(5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-methylpyrrolidin-2-one

C14H29NO2Si — CID 135042206

IUPAC(5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-methylpyrrolidin-2-one
SMILESC[C@@H](C[C@H]1CCC(=O)N1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29NO2Si/c1-11(17-18(6,7)14(2,3)4)10-12-8-9-13(16)15(12)5/h11-12H,8-10H2,1-7H3/t11-,12+/m0/s1
InChIKeyWVLIGNFZJNJGET-NWDGAFQWSA-N
MW271.48 g/mol
LogP3.41
Rot. Bonds4

About (5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-methylpyrrolidin-2-one

(5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-methylpyrrolidin-2-one (PubChem CID 135042206) has the molecular formula C14H29NO2Si and a molecular weight of 271.48 g/mol. Its IUPAC name is (5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-methylpyrrolidin-2-one
PubChem CID135042206
Molecular FormulaC14H29NO2Si
Molecular Weight271.48 g/mol
Exact Mass271.20
IUPAC Name(5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-methylpyrrolidin-2-one
SMILESC[C@@H](C[C@H]1CCC(=O)N1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29NO2Si/c1-11(17-18(6,7)14(2,3)4)10-12-8-9-13(16)15(12)5/h11-12H,8-10H2,1-7H3/t11-,12+/m0/s1
InChIKeyWVLIGNFZJNJGET-NWDGAFQWSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.48
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4r,5s)-4-(t-Butyldimethylsilyloxy)-1-methyl-5-(2-oxo-propyl)pyrrolidin-2-one
CID 129823360
(5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolidin-2-one
CID 135042131
(5S)-5-(2-{[tert-Butyl(dimethyl)silyl]oxy}ethyl)pyrrolidin-2-one
CID 16202577
1-[4-(Tert-butyldimethyl-silanyloxy)-cyclohexyl]-pyrrolidin-2-one
CID 59299475
5-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one
CID 85920196
3-[Tert-butyl(dimethyl)silyl]oxy-5-propylpyrrolidin-2-one
CID 141651217
5-[2-[Tert-butyl(dimethyl)silyl]oxypropyl]pyrrolidin-2-one
CID 141745708
(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-methylpyrrolidin-2-one
CID 156741324
(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one
CID 156741328
(6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 170767569
(7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 170938843
(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylic acid
CID 172736957

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-methylpyrrolidin-2-one?
The IUPAC name of (5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-methylpyrrolidin-2-one (CID 135042206) is (5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-methylpyrrolidin-2-one is C[C@@H](C[C@H]1CCC(=O)N1C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-methylpyrrolidin-2-one?
The InChIKey is WVLIGNFZJNJGET-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H29NO2Si/c1-11(17-18(6,7)14(2,3)4)10-12-8-9-13(16)15(12)5/h11-12H,8-10H2,1-7H3/t11-,12+/m0/s1.
What are the key properties of (5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-methylpyrrolidin-2-one?
(5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-methylpyrrolidin-2-one has a molecular weight of 271.48 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 135042206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).