(3R,5S)-1-acetyl-5-ethyl-3-[3-tri(propan-2-yl)silylpropyl]pyrrolidin-2-one

C20H39NO2Si — CID 101232495

IUPAC(3R,5S)-1-acetyl-5-ethyl-3-[3-tri(propan-2-yl)silylpropyl]pyrrolidin-2-one
SMILESCC[C@H]1C[C@@H](CCC[Si](C(C)C)(C(C)C)C(C)C)C(=O)N1C(C)=O
InChIInChI=1S/C20H39NO2Si/c1-9-19-13-18(20(23)21(19)17(8)22)11-10-12-24(14(2)3,15(4)5)16(6)7/h14-16,18-19H,9-13H2,1-8H3/t18-,19+/m1/s1
InChIKeyWCGLJBULZVNNJB-MOPGFXCFSA-N
MW353.62 g/mol
LogP5.62
Rot. Bonds8

About (3R,5S)-1-acetyl-5-ethyl-3-[3-tri(propan-2-yl)silylpropyl]pyrrolidin-2-one

(3R,5S)-1-acetyl-5-ethyl-3-[3-tri(propan-2-yl)silylpropyl]pyrrolidin-2-one (PubChem CID 101232495) has the molecular formula C20H39NO2Si and a molecular weight of 353.62 g/mol. Its IUPAC name is (3R,5S)-1-acetyl-5-ethyl-3-[3-tri(propan-2-yl)silylpropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5S)-1-acetyl-5-ethyl-3-[3-tri(propan-2-yl)silylpropyl]pyrrolidin-2-one
PubChem CID101232495
Molecular FormulaC20H39NO2Si
Molecular Weight353.62 g/mol
Exact Mass353.28
IUPAC Name(3R,5S)-1-acetyl-5-ethyl-3-[3-tri(propan-2-yl)silylpropyl]pyrrolidin-2-one
SMILESCC[C@H]1C[C@@H](CCC[Si](C(C)C)(C(C)C)C(C)C)C(=O)N1C(C)=O
InChIInChI=1S/C20H39NO2Si/c1-9-19-13-18(20(23)21(19)17(8)22)11-10-12-24(14(2)3,15(4)5)16(6)7/h14-16,18-19H,9-13H2,1-8H3/t18-,19+/m1/s1
InChIKeyWCGLJBULZVNNJB-MOPGFXCFSA-N
XLogP5.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.62
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (3R,5S)-1-acetyl-5-ethyl-3-[3-tri(propan-2-yl)silylpropyl]pyrrolidin-2-one?
The IUPAC name of (3R,5S)-1-acetyl-5-ethyl-3-[3-tri(propan-2-yl)silylpropyl]pyrrolidin-2-one (CID 101232495) is (3R,5S)-1-acetyl-5-ethyl-3-[3-tri(propan-2-yl)silylpropyl]pyrrolidin-2-one.
What is the SMILES notation for (3R,5S)-1-acetyl-5-ethyl-3-[3-tri(propan-2-yl)silylpropyl]pyrrolidin-2-one?
The canonical SMILES for (3R,5S)-1-acetyl-5-ethyl-3-[3-tri(propan-2-yl)silylpropyl]pyrrolidin-2-one is CC[C@H]1C[C@@H](CCC[Si](C(C)C)(C(C)C)C(C)C)C(=O)N1C(C)=O.
What is the InChIKey of (3R,5S)-1-acetyl-5-ethyl-3-[3-tri(propan-2-yl)silylpropyl]pyrrolidin-2-one?
The InChIKey is WCGLJBULZVNNJB-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H39NO2Si/c1-9-19-13-18(20(23)21(19)17(8)22)11-10-12-24(14(2)3,15(4)5)16(6)7/h14-16,18-19H,9-13H2,1-8H3/t18-,19+/m1/s1.
What are the key properties of (3R,5S)-1-acetyl-5-ethyl-3-[3-tri(propan-2-yl)silylpropyl]pyrrolidin-2-one?
(3R,5S)-1-acetyl-5-ethyl-3-[3-tri(propan-2-yl)silylpropyl]pyrrolidin-2-one has a molecular weight of 353.62 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-acetyl-5-ethyl-3-[3-tri(propan-2-yl)silylpropyl]pyrrolidin-2-one is sourced from PubChem (CID 101232495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).