(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-propanoylpyrrolidin-2-one

C16H31NO3Si — CID 101180860

IUPAC(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-propanoylpyrrolidin-2-one
SMILESCCC(=O)N1C(=O)C(C)(C)C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31NO3Si/c1-9-13(18)17-12(10-16(5,6)14(17)19)11-20-21(7,8)15(2,3)4/h12H,9-11H2,1-8H3/t12-/m0/s1
InChIKeyBTBQXWLIVRXRGK-LBPRGKRZSA-N
MW313.51 g/mol
LogP3.57
Rot. Bonds4

About (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-propanoylpyrrolidin-2-one

(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-propanoylpyrrolidin-2-one (PubChem CID 101180860) has the molecular formula C16H31NO3Si and a molecular weight of 313.51 g/mol. Its IUPAC name is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-propanoylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-propanoylpyrrolidin-2-one
PubChem CID101180860
Molecular FormulaC16H31NO3Si
Molecular Weight313.51 g/mol
Exact Mass313.21
IUPAC Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-propanoylpyrrolidin-2-one
SMILESCCC(=O)N1C(=O)C(C)(C)C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31NO3Si/c1-9-13(18)17-12(10-16(5,6)14(17)19)11-20-21(7,8)15(2,3)4/h12H,9-11H2,1-8H3/t12-/m0/s1
InChIKeyBTBQXWLIVRXRGK-LBPRGKRZSA-N
XLogP3.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-propanoylpyrrolidin-2-one?
The IUPAC name of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-propanoylpyrrolidin-2-one (CID 101180860) is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-propanoylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-propanoylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-propanoylpyrrolidin-2-one is CCC(=O)N1C(=O)C(C)(C)C[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-propanoylpyrrolidin-2-one?
The InChIKey is BTBQXWLIVRXRGK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H31NO3Si/c1-9-13(18)17-12(10-16(5,6)14(17)19)11-20-21(7,8)15(2,3)4/h12H,9-11H2,1-8H3/t12-/m0/s1.
What are the key properties of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-propanoylpyrrolidin-2-one?
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-propanoylpyrrolidin-2-one has a molecular weight of 313.51 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-propanoylpyrrolidin-2-one is sourced from PubChem (CID 101180860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).