[diphenyl-[(2S)-1-[(E)-2-phenylethenyl]pyrrolidin-2-yl]methoxy]-trimethylsilane

C28H33NOSi — CID 102026757

IUPAC[diphenyl-[(2S)-1-[(E)-2-phenylethenyl]pyrrolidin-2-yl]methoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1/C=C/c1ccccc1
InChIInChI=1S/C28H33NOSi/c1-31(2,3)30-28(25-16-9-5-10-17-25,26-18-11-6-12-19-26)27-20-13-22-29(27)23-21-24-14-7-4-8-15-24/h4-12,14-19,21,23,27H,13,20,22H2,1-3H3/b23-21+/t27-/m0/s1
InChIKeyQVIYFJJADMNJOQ-NDLSKRMFSA-N
MW427.66 g/mol
LogP6.92
Rot. Bonds7

About [diphenyl-[(2S)-1-[(E)-2-phenylethenyl]pyrrolidin-2-yl]methoxy]-trimethylsilane

[diphenyl-[(2S)-1-[(E)-2-phenylethenyl]pyrrolidin-2-yl]methoxy]-trimethylsilane (PubChem CID 102026757) has the molecular formula C28H33NOSi and a molecular weight of 427.66 g/mol. Its IUPAC name is [diphenyl-[(2S)-1-[(E)-2-phenylethenyl]pyrrolidin-2-yl]methoxy]-trimethylsilane.

Molecular Properties

Compound Name[diphenyl-[(2S)-1-[(E)-2-phenylethenyl]pyrrolidin-2-yl]methoxy]-trimethylsilane
PubChem CID102026757
Molecular FormulaC28H33NOSi
Molecular Weight427.66 g/mol
Exact Mass427.23
IUPAC Name[diphenyl-[(2S)-1-[(E)-2-phenylethenyl]pyrrolidin-2-yl]methoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1/C=C/c1ccccc1
InChIInChI=1S/C28H33NOSi/c1-31(2,3)30-28(25-16-9-5-10-17-25,26-18-11-6-12-19-26)27-20-13-22-29(27)23-21-24-14-7-4-8-15-24/h4-12,14-19,21,23,27H,13,20,22H2,1-3H3/b23-21+/t27-/m0/s1
InChIKeyQVIYFJJADMNJOQ-NDLSKRMFSA-N
XLogP6.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.66
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-Methylpyrrolidin-2-yl)-diphenylmethanol
CID 204388
(1-Methylpyrrolidin-2-yl)(diphenyl)methanol--hydrogen chloride (1/1)
CID 204387
2-Pyrrolidinemethanol, 1-butyl-alpha,alpha-diphenyl-, hydrochloride
CID 204389
(S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine
CID 853009
(R)-(-)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine
CID 853010
(S)-(-)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol Trimethylsilyl Ether
CID 11198150
(S)-(t-Butyldimethylsiloxy)-diphenylmethyl)pyrrolidine
CID 12000489
(R)-(+)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol Trimethylsilyl Ether
CID 16218310
(R)-Diphenylprolinol tert-butyldimethylsilyl ether
CID 71310995
(1-Butylpyrrolidin-2-yl)(diphenyl)methanol
CID 204390
[bis(3,5-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methoxy]-trimethylsilane;hydrochloride
CID 71310394
1-{2-[Hydroxy(diphenyl)methyl]pyrrolidin-1-yl}-2-methylpropan-2-ol
CID 139060777

Frequently Asked Questions

What is the IUPAC name of [diphenyl-[(2S)-1-[(E)-2-phenylethenyl]pyrrolidin-2-yl]methoxy]-trimethylsilane?
The IUPAC name of [diphenyl-[(2S)-1-[(E)-2-phenylethenyl]pyrrolidin-2-yl]methoxy]-trimethylsilane (CID 102026757) is [diphenyl-[(2S)-1-[(E)-2-phenylethenyl]pyrrolidin-2-yl]methoxy]-trimethylsilane.
What is the SMILES notation for [diphenyl-[(2S)-1-[(E)-2-phenylethenyl]pyrrolidin-2-yl]methoxy]-trimethylsilane?
The canonical SMILES for [diphenyl-[(2S)-1-[(E)-2-phenylethenyl]pyrrolidin-2-yl]methoxy]-trimethylsilane is C[Si](C)(C)OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1/C=C/c1ccccc1.
What is the InChIKey of [diphenyl-[(2S)-1-[(E)-2-phenylethenyl]pyrrolidin-2-yl]methoxy]-trimethylsilane?
The InChIKey is QVIYFJJADMNJOQ-NDLSKRMFSA-N. The full InChI is InChI=1S/C28H33NOSi/c1-31(2,3)30-28(25-16-9-5-10-17-25,26-18-11-6-12-19-26)27-20-13-22-29(27)23-21-24-14-7-4-8-15-24/h4-12,14-19,21,23,27H,13,20,22H2,1-3H3/b23-21+/t27-/m0/s1.
What are the key properties of [diphenyl-[(2S)-1-[(E)-2-phenylethenyl]pyrrolidin-2-yl]methoxy]-trimethylsilane?
[diphenyl-[(2S)-1-[(E)-2-phenylethenyl]pyrrolidin-2-yl]methoxy]-trimethylsilane has a molecular weight of 427.66 g/mol, XLogP of 6.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl-[(2S)-1-[(E)-2-phenylethenyl]pyrrolidin-2-yl]methoxy]-trimethylsilane is sourced from PubChem (CID 102026757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).