(4S)-1-[bis(trimethylsilyl)methyl]-4-phenylpyrrolidin-2-one

C17H29NOSi2 — CID 101372634

IUPAC(4S)-1-[bis(trimethylsilyl)methyl]-4-phenylpyrrolidin-2-one
SMILESC[Si](C)(C)C(N1C[C@H](c2ccccc2)CC1=O)[Si](C)(C)C
InChIInChI=1S/C17H29NOSi2/c1-20(2,3)17(21(4,5)6)18-13-15(12-16(18)19)14-10-8-7-9-11-14/h7-11,15,17H,12-13H2,1-6H3/t15-/m1/s1
InChIKeyGIYRAECPGGWVEQ-OAHLLOKOSA-N
MW319.60 g/mol
LogP4.13
Rot. Bonds4

About (4S)-1-[bis(trimethylsilyl)methyl]-4-phenylpyrrolidin-2-one

(4S)-1-[bis(trimethylsilyl)methyl]-4-phenylpyrrolidin-2-one (PubChem CID 101372634) has the molecular formula C17H29NOSi2 and a molecular weight of 319.60 g/mol. Its IUPAC name is (4S)-1-[bis(trimethylsilyl)methyl]-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[bis(trimethylsilyl)methyl]-4-phenylpyrrolidin-2-one
PubChem CID101372634
Molecular FormulaC17H29NOSi2
Molecular Weight319.60 g/mol
Exact Mass319.18
IUPAC Name(4S)-1-[bis(trimethylsilyl)methyl]-4-phenylpyrrolidin-2-one
SMILESC[Si](C)(C)C(N1C[C@H](c2ccccc2)CC1=O)[Si](C)(C)C
InChIInChI=1S/C17H29NOSi2/c1-20(2,3)17(21(4,5)6)18-13-15(12-16(18)19)14-10-8-7-9-11-14/h7-11,15,17H,12-13H2,1-6H3/t15-/m1/s1
InChIKeyGIYRAECPGGWVEQ-OAHLLOKOSA-N
XLogP4.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.60
LogP ≤ 54.13
H-Bond Donors ≤ 50
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 (4S)-1-[bis(trimethylsilyl)methyl]-4-phenylpyrrolidin-2-one?
The IUPAC name of (4S)-1-[bis(trimethylsilyl)methyl]-4-phenylpyrrolidin-2-one (CID 101372634) is (4S)-1-[bis(trimethylsilyl)methyl]-4-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[bis(trimethylsilyl)methyl]-4-phenylpyrrolidin-2-one?
The canonical SMILES for (4S)-1-[bis(trimethylsilyl)methyl]-4-phenylpyrrolidin-2-one is C[Si](C)(C)C(N1C[C@H](c2ccccc2)CC1=O)[Si](C)(C)C.
What is the InChIKey of (4S)-1-[bis(trimethylsilyl)methyl]-4-phenylpyrrolidin-2-one?
The InChIKey is GIYRAECPGGWVEQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29NOSi2/c1-20(2,3)17(21(4,5)6)18-13-15(12-16(18)19)14-10-8-7-9-11-14/h7-11,15,17H,12-13H2,1-6H3/t15-/m1/s1.
What are the key properties of (4S)-1-[bis(trimethylsilyl)methyl]-4-phenylpyrrolidin-2-one?
(4S)-1-[bis(trimethylsilyl)methyl]-4-phenylpyrrolidin-2-one has a molecular weight of 319.60 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[bis(trimethylsilyl)methyl]-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 101372634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).