[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane;[(E)-2-nitroethenyl]benzene

C28H34N2O3Si — CID 158756883

IUPAC[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane;[(E)-2-nitroethenyl]benzene
SMILESC[Si](C)(C)OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1.O=[N+]([O-])/C=C/c1ccccc1
InChIInChI=1S/C20H27NOSi.C8H7NO2/c1-23(2,3)22-20(19-15-10-16-21-19,17-11-6-4-7-12-17)18-13-8-5-9-14-18;10-9(11)7-6-8-4-2-1-3-5-8/h4-9,11-14,19,21H,10,15-16H2,1-3H3;1-7H/b;7-6+/t19-;/m0./s1
InChIKeyIOEJWXFOWYEAGS-SZKCMNLOSA-N
MW474.68 g/mol
LogP6.47
Rot. Bonds7

About [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane;[(E)-2-nitroethenyl]benzene

[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane;[(E)-2-nitroethenyl]benzene (PubChem CID 158756883) has the molecular formula C28H34N2O3Si and a molecular weight of 474.68 g/mol. Its IUPAC name is [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane;[(E)-2-nitroethenyl]benzene.

Molecular Properties

Compound Name[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane;[(E)-2-nitroethenyl]benzene
PubChem CID158756883
Molecular FormulaC28H34N2O3Si
Molecular Weight474.68 g/mol
Exact Mass474.23
IUPAC Name[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane;[(E)-2-nitroethenyl]benzene
SMILESC[Si](C)(C)OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1.O=[N+]([O-])/C=C/c1ccccc1
InChIInChI=1S/C20H27NOSi.C8H7NO2/c1-23(2,3)22-20(19-15-10-16-21-19,17-11-6-4-7-12-17)18-13-8-5-9-14-18;10-9(11)7-6-8-4-2-1-3-5-8/h4-9,11-14,19,21H,10,15-16H2,1-3H3;1-7H/b;7-6+/t19-;/m0./s1
InChIKeyIOEJWXFOWYEAGS-SZKCMNLOSA-N
XLogP6.47
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.68
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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
[bis(3,5-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methoxy]-trimethylsilane;hydrochloride
CID 71310394
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
(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

Frequently Asked Questions

What is the IUPAC name of [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane;[(E)-2-nitroethenyl]benzene?
The IUPAC name of [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane;[(E)-2-nitroethenyl]benzene (CID 158756883) is [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane;[(E)-2-nitroethenyl]benzene.
What is the SMILES notation for [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane;[(E)-2-nitroethenyl]benzene?
The canonical SMILES for [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane;[(E)-2-nitroethenyl]benzene is C[Si](C)(C)OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1.O=[N+]([O-])/C=C/c1ccccc1.
What is the InChIKey of [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane;[(E)-2-nitroethenyl]benzene?
The InChIKey is IOEJWXFOWYEAGS-SZKCMNLOSA-N. The full InChI is InChI=1S/C20H27NOSi.C8H7NO2/c1-23(2,3)22-20(19-15-10-16-21-19,17-11-6-4-7-12-17)18-13-8-5-9-14-18;10-9(11)7-6-8-4-2-1-3-5-8/h4-9,11-14,19,21H,10,15-16H2,1-3H3;1-7H/b;7-6+/t19-;/m0./s1.
What are the key properties of [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane;[(E)-2-nitroethenyl]benzene?
[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane;[(E)-2-nitroethenyl]benzene has a molecular weight of 474.68 g/mol, XLogP of 6.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane;[(E)-2-nitroethenyl]benzene is sourced from PubChem (CID 158756883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).