(2S)-1-[methyl(diphenyl)silyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol

C21H29NOSi — CID 163893873

IUPAC(2S)-1-[methyl(diphenyl)silyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol
SMILESCN1CCC[C@H]1C[C@H](O)C[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NOSi/c1-22-15-9-10-18(22)16-19(23)17-24(2,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,18-19,23H,9-10,15-17H2,1-2H3/t18-,19-/m0/s1
InChIKeyQDXGRFUDEFSJSU-OALUTQOASA-N
MW339.56 g/mol
LogP2.72
Rot. Bonds6

About (2S)-1-[methyl(diphenyl)silyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol

(2S)-1-[methyl(diphenyl)silyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol (PubChem CID 163893873) has the molecular formula C21H29NOSi and a molecular weight of 339.56 g/mol. Its IUPAC name is (2S)-1-[methyl(diphenyl)silyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[methyl(diphenyl)silyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol
PubChem CID163893873
Molecular FormulaC21H29NOSi
Molecular Weight339.56 g/mol
Exact Mass339.20
IUPAC Name(2S)-1-[methyl(diphenyl)silyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol
SMILESCN1CCC[C@H]1C[C@H](O)C[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NOSi/c1-22-15-9-10-18(22)16-19(23)17-24(2,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,18-19,23H,9-10,15-17H2,1-2H3/t18-,19-/m0/s1
InChIKeyQDXGRFUDEFSJSU-OALUTQOASA-N
XLogP2.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.56
LogP ≤ 52.72
H-Bond Donors ≤ 51
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 (2S)-1-[methyl(diphenyl)silyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol?
The IUPAC name of (2S)-1-[methyl(diphenyl)silyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol (CID 163893873) is (2S)-1-[methyl(diphenyl)silyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[methyl(diphenyl)silyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[methyl(diphenyl)silyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol is CN1CCC[C@H]1C[C@H](O)C[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1-[methyl(diphenyl)silyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol?
The InChIKey is QDXGRFUDEFSJSU-OALUTQOASA-N. The full InChI is InChI=1S/C21H29NOSi/c1-22-15-9-10-18(22)16-19(23)17-24(2,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,18-19,23H,9-10,15-17H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of (2S)-1-[methyl(diphenyl)silyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol?
(2S)-1-[methyl(diphenyl)silyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol has a molecular weight of 339.56 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[methyl(diphenyl)silyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 163893873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).