(3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3,5-dimethylpyrrolidin-2-one

C21H27NOSi — CID 11221416

IUPAC(3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3,5-dimethylpyrrolidin-2-one
SMILESC[C@@H]1NC(=O)[C@H](C)[C@H]1[Si](C)(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NOSi/c1-15-19(16(2)22-21(15)23)24(3,4)20(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16,19-20H,1-4H3,(H,22,23)/t15-,16+,19-/m1/s1
InChIKeyCMDWLXCAHJCBFN-JTDSTZFVSA-N
MW337.54 g/mol
LogP4.59
Rot. Bonds4

About (3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3,5-dimethylpyrrolidin-2-one

(3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3,5-dimethylpyrrolidin-2-one (PubChem CID 11221416) has the molecular formula C21H27NOSi and a molecular weight of 337.54 g/mol. Its IUPAC name is (3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3,5-dimethylpyrrolidin-2-one
PubChem CID11221416
Molecular FormulaC21H27NOSi
Molecular Weight337.54 g/mol
Exact Mass337.19
IUPAC Name(3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3,5-dimethylpyrrolidin-2-one
SMILESC[C@@H]1NC(=O)[C@H](C)[C@H]1[Si](C)(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NOSi/c1-15-19(16(2)22-21(15)23)24(3,4)20(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16,19-20H,1-4H3,(H,22,23)/t15-,16+,19-/m1/s1
InChIKeyCMDWLXCAHJCBFN-JTDSTZFVSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.54
LogP ≤ 54.59
H-Bond Donors ≤ 51
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 (3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3,5-dimethylpyrrolidin-2-one?
The IUPAC name of (3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3,5-dimethylpyrrolidin-2-one (CID 11221416) is (3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for (3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3,5-dimethylpyrrolidin-2-one?
The canonical SMILES for (3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3,5-dimethylpyrrolidin-2-one is C[C@@H]1NC(=O)[C@H](C)[C@H]1[Si](C)(C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3,5-dimethylpyrrolidin-2-one?
The InChIKey is CMDWLXCAHJCBFN-JTDSTZFVSA-N. The full InChI is InChI=1S/C21H27NOSi/c1-15-19(16(2)22-21(15)23)24(3,4)20(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16,19-20H,1-4H3,(H,22,23)/t15-,16+,19-/m1/s1.
What are the key properties of (3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3,5-dimethylpyrrolidin-2-one?
(3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3,5-dimethylpyrrolidin-2-one has a molecular weight of 337.54 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 11221416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).