(3S,4R,5S)-4-[dimethyl(2-phenylpropan-2-yl)silyl]-3,4,5-trimethylpyrrolidin-2-one

C18H29NOSi — CID 139039380

IUPAC(3S,4R,5S)-4-[dimethyl(2-phenylpropan-2-yl)silyl]-3,4,5-trimethylpyrrolidin-2-one
SMILESC[C@@H]1NC(=O)[C@H](C)[C@@]1(C)[Si](C)(C)C(C)(C)c1ccccc1
InChIInChI=1S/C18H29NOSi/c1-13-16(20)19-14(2)18(13,5)21(6,7)17(3,4)15-11-9-8-10-12-15/h8-14H,1-7H3,(H,19,20)/t13-,14-,18+/m0/s1
InChIKeyVNBNKMGIAFVEBG-SUNYJGFJSA-N
MW303.52 g/mol
LogP4.13
Rot. Bonds3

About (3S,4R,5S)-4-[dimethyl(2-phenylpropan-2-yl)silyl]-3,4,5-trimethylpyrrolidin-2-one

(3S,4R,5S)-4-[dimethyl(2-phenylpropan-2-yl)silyl]-3,4,5-trimethylpyrrolidin-2-one (PubChem CID 139039380) has the molecular formula C18H29NOSi and a molecular weight of 303.52 g/mol. Its IUPAC name is (3S,4R,5S)-4-[dimethyl(2-phenylpropan-2-yl)silyl]-3,4,5-trimethylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S,4R,5S)-4-[dimethyl(2-phenylpropan-2-yl)silyl]-3,4,5-trimethylpyrrolidin-2-one
PubChem CID139039380
Molecular FormulaC18H29NOSi
Molecular Weight303.52 g/mol
Exact Mass303.20
IUPAC Name(3S,4R,5S)-4-[dimethyl(2-phenylpropan-2-yl)silyl]-3,4,5-trimethylpyrrolidin-2-one
SMILESC[C@@H]1NC(=O)[C@H](C)[C@@]1(C)[Si](C)(C)C(C)(C)c1ccccc1
InChIInChI=1S/C18H29NOSi/c1-13-16(20)19-14(2)18(13,5)21(6,7)17(3,4)15-11-9-8-10-12-15/h8-14H,1-7H3,(H,19,20)/t13-,14-,18+/m0/s1
InChIKeyVNBNKMGIAFVEBG-SUNYJGFJSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S,4R,5S)-4-[dimethyl(2-phenylpropan-2-yl)silyl]-3,4,5-trimethylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-4-[dimethyl(2-phenylpropan-2-yl)silyl]-3,4,5-trimethylpyrrolidin-2-one?
The IUPAC name of (3S,4R,5S)-4-[dimethyl(2-phenylpropan-2-yl)silyl]-3,4,5-trimethylpyrrolidin-2-one (CID 139039380) is (3S,4R,5S)-4-[dimethyl(2-phenylpropan-2-yl)silyl]-3,4,5-trimethylpyrrolidin-2-one.
What is the SMILES notation for (3S,4R,5S)-4-[dimethyl(2-phenylpropan-2-yl)silyl]-3,4,5-trimethylpyrrolidin-2-one?
The canonical SMILES for (3S,4R,5S)-4-[dimethyl(2-phenylpropan-2-yl)silyl]-3,4,5-trimethylpyrrolidin-2-one is C[C@@H]1NC(=O)[C@H](C)[C@@]1(C)[Si](C)(C)C(C)(C)c1ccccc1.
What is the InChIKey of (3S,4R,5S)-4-[dimethyl(2-phenylpropan-2-yl)silyl]-3,4,5-trimethylpyrrolidin-2-one?
The InChIKey is VNBNKMGIAFVEBG-SUNYJGFJSA-N. The full InChI is InChI=1S/C18H29NOSi/c1-13-16(20)19-14(2)18(13,5)21(6,7)17(3,4)15-11-9-8-10-12-15/h8-14H,1-7H3,(H,19,20)/t13-,14-,18+/m0/s1.
What are the key properties of (3S,4R,5S)-4-[dimethyl(2-phenylpropan-2-yl)silyl]-3,4,5-trimethylpyrrolidin-2-one?
(3S,4R,5S)-4-[dimethyl(2-phenylpropan-2-yl)silyl]-3,4,5-trimethylpyrrolidin-2-one has a molecular weight of 303.52 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-4-[dimethyl(2-phenylpropan-2-yl)silyl]-3,4,5-trimethylpyrrolidin-2-one is sourced from PubChem (CID 139039380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).