[diphenyl-[(2S)-1-prop-2-enylidenepyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane

C23H30NOSi+ — CID 134942214

IUPAC[diphenyl-[(2S)-1-prop-2-enylidenepyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane
SMILESC=C/C=[N+]1\CCC[C@H]1C(O[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30NOSi/c1-5-18-24-19-12-17-22(24)23(25-26(2,3)4,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h5-11,13-16,18,22H,1,12,17,19H2,2-4H3/q+1/b24-18+/t22-/m0/s1
InChIKeyCJIGLXICAXDPHD-UWODKOOBSA-N
MW364.59 g/mol
LogP5.21
Rot. Bonds6

About [diphenyl-[(2S)-1-prop-2-enylidenepyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane

[diphenyl-[(2S)-1-prop-2-enylidenepyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane (PubChem CID 134942214) has the molecular formula C23H30NOSi+ and a molecular weight of 364.59 g/mol. Its IUPAC name is [diphenyl-[(2S)-1-prop-2-enylidenepyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane.

Molecular Properties

Compound Name[diphenyl-[(2S)-1-prop-2-enylidenepyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane
PubChem CID134942214
Molecular FormulaC23H30NOSi+
Molecular Weight364.59 g/mol
Exact Mass364.21
IUPAC Name[diphenyl-[(2S)-1-prop-2-enylidenepyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane
SMILESC=C/C=[N+]1\CCC[C@H]1C(O[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30NOSi/c1-5-18-24-19-12-17-22(24)23(25-26(2,3)4,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h5-11,13-16,18,22H,1,12,17,19H2,2-4H3/q+1/b24-18+/t22-/m0/s1
InChIKeyCJIGLXICAXDPHD-UWODKOOBSA-N
XLogP5.21
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.59
LogP ≤ 55.21
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

(1-Methylpyrrolidin-2-yl)-diphenylmethanol
CID 204388
(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
[(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
(S)-2-(Bis(3,5-dimethylphenyl)((trimethylsilyl)oxy)methyl)pyrrolidine
CID 16733538
2-[Diphenyl[(trimethylsilyl)oxy]methyl]pyrrolidine
CID 23629008

Frequently Asked Questions

What is the IUPAC name of [diphenyl-[(2S)-1-prop-2-enylidenepyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane?
The IUPAC name of [diphenyl-[(2S)-1-prop-2-enylidenepyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane (CID 134942214) is [diphenyl-[(2S)-1-prop-2-enylidenepyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane.
What is the SMILES notation for [diphenyl-[(2S)-1-prop-2-enylidenepyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane?
The canonical SMILES for [diphenyl-[(2S)-1-prop-2-enylidenepyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane is C=C/C=[N+]1\CCC[C@H]1C(O[Si](C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [diphenyl-[(2S)-1-prop-2-enylidenepyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane?
The InChIKey is CJIGLXICAXDPHD-UWODKOOBSA-N. The full InChI is InChI=1S/C23H30NOSi/c1-5-18-24-19-12-17-22(24)23(25-26(2,3)4,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h5-11,13-16,18,22H,1,12,17,19H2,2-4H3/q+1/b24-18+/t22-/m0/s1.
What are the key properties of [diphenyl-[(2S)-1-prop-2-enylidenepyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane?
[diphenyl-[(2S)-1-prop-2-enylidenepyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane has a molecular weight of 364.59 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl-[(2S)-1-prop-2-enylidenepyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane is sourced from PubChem (CID 134942214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).