[diphenyl-[(2S)-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane

C29H34NOSi+ — CID 102099897

IUPAC[diphenyl-[(2S)-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(c1ccccc1)(c1ccccc1)[C@@H]1CCC/[N+]1=C\C=C\c1ccccc1
InChIInChI=1S/C29H34NOSi/c1-32(2,3)31-29(26-18-9-5-10-19-26,27-20-11-6-12-21-27)28-22-14-24-30(28)23-13-17-25-15-7-4-8-16-25/h4-13,15-21,23,28H,14,22,24H2,1-3H3/q+1/b17-13+,30-23+/t28-/m0/s1
InChIKeyWVUQNVUZCFOJIQ-VMPVAELXSA-N
MW440.68 g/mol
LogP6.74
Rot. Bonds7

About [diphenyl-[(2S)-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane

[diphenyl-[(2S)-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane (PubChem CID 102099897) has the molecular formula C29H34NOSi+ and a molecular weight of 440.68 g/mol. Its IUPAC name is [diphenyl-[(2S)-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane.

Molecular Properties

Compound Name[diphenyl-[(2S)-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane
PubChem CID102099897
Molecular FormulaC29H34NOSi+
Molecular Weight440.68 g/mol
Exact Mass440.24
IUPAC Name[diphenyl-[(2S)-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(c1ccccc1)(c1ccccc1)[C@@H]1CCC/[N+]1=C\C=C\c1ccccc1
InChIInChI=1S/C29H34NOSi/c1-32(2,3)31-29(26-18-9-5-10-19-26,27-20-11-6-12-21-27)28-22-14-24-30(28)23-13-17-25-15-7-4-8-16-25/h4-13,15-21,23,28H,14,22,24H2,1-3H3/q+1/b17-13+,30-23+/t28-/m0/s1
InChIKeyWVUQNVUZCFOJIQ-VMPVAELXSA-N
XLogP6.74
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.68
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(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
[(S)-[2,4-bis(trifluoromethyl)phenyl]-[3,5-bis(trifluoromethyl)phenyl]-[(2S)-1-[(E)-pent-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane
CID 134941842
Pyrrolidine, 2-[diphenyl[(triethylsilyl)oxy]methyl]-, (2S)-
CID 12164842
2-[Diphenyl[(trimethylsilyl)oxy]methyl]pyrrolidine
CID 23629008
(R)-2-(Diphenyl((triethylsilyl)oxy)methyl)pyrrolidine
CID 25177950
(S)-2-(((tert-Butyldimethylsilyl)-oxy)diphenylmethyl)pyrrolidine
CID 68477237
[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-methyl-diphenylsilane
CID 71475855
(S)-2-Diphenyl[[trisisopropylilyl]xy]ethyl]yrrolidine
CID 134942488
[Diphenyl(pyrrolidin-2-yl)methoxy]-methyl-diphenylsilane
CID 75581854

Frequently Asked Questions

What is the IUPAC name of [diphenyl-[(2S)-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane?
The IUPAC name of [diphenyl-[(2S)-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane (CID 102099897) is [diphenyl-[(2S)-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane.
What is the SMILES notation for [diphenyl-[(2S)-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane?
The canonical SMILES for [diphenyl-[(2S)-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane is C[Si](C)(C)OC(c1ccccc1)(c1ccccc1)[C@@H]1CCC/[N+]1=C\C=C\c1ccccc1.
What is the InChIKey of [diphenyl-[(2S)-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane?
The InChIKey is WVUQNVUZCFOJIQ-VMPVAELXSA-N. The full InChI is InChI=1S/C29H34NOSi/c1-32(2,3)31-29(26-18-9-5-10-19-26,27-20-11-6-12-21-27)28-22-14-24-30(28)23-13-17-25-15-7-4-8-16-25/h4-13,15-21,23,28H,14,22,24H2,1-3H3/q+1/b17-13+,30-23+/t28-/m0/s1.
What are the key properties of [diphenyl-[(2S)-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane?
[diphenyl-[(2S)-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane has a molecular weight of 440.68 g/mol, XLogP of 6.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl-[(2S)-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane is sourced from PubChem (CID 102099897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).