[diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-methyl-diphenylsilane

C33H35NOSi — CID 132597649

IUPAC[diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-methyl-diphenylsilane
SMILESC/C=C/N1CCC[C@H]1C(O[Si](C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H35NOSi/c1-3-26-34-27-16-25-32(34)33(28-17-8-4-9-18-28,29-19-10-5-11-20-29)35-36(2,30-21-12-6-13-22-30)31-23-14-7-15-24-31/h3-15,17-24,26,32H,16,25,27H2,1-2H3/b26-3+/t32-/m0/s1
InChIKeyRQIQLKGZHQVBJE-DEYAGCHNSA-N
MW489.74 g/mol
LogP6.33
Rot. Bonds8

About [diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-methyl-diphenylsilane

[diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-methyl-diphenylsilane (PubChem CID 132597649) has the molecular formula C33H35NOSi and a molecular weight of 489.74 g/mol. Its IUPAC name is [diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-methyl-diphenylsilane.

Molecular Properties

Compound Name[diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-methyl-diphenylsilane
PubChem CID132597649
Molecular FormulaC33H35NOSi
Molecular Weight489.74 g/mol
Exact Mass489.25
IUPAC Name[diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-methyl-diphenylsilane
SMILESC/C=C/N1CCC[C@H]1C(O[Si](C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H35NOSi/c1-3-26-34-27-16-25-32(34)33(28-17-8-4-9-18-28,29-19-10-5-11-20-29)35-36(2,30-21-12-6-13-22-30)31-23-14-7-15-24-31/h3-15,17-24,26,32H,16,25,27H2,1-2H3/b26-3+/t32-/m0/s1
InChIKeyRQIQLKGZHQVBJE-DEYAGCHNSA-N
XLogP6.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.74
LogP ≤ 56.33
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

[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]-diphenylmethoxy]-methyl-diphenylsilane
CID 177392334
(E,1S)-4-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylbut-3-en-1-ol
CID 134848171
N-[(E,1S)-3-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylprop-2-enyl]-2-oxo-N,2-diphenylacetamide
CID 134839898
ethyl (E)-3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-enoate
CID 139095804
(2S)-2-[methoxy(diphenyl)methyl]-1-nitrosopyrrolidine
CID 10494163
N-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]methanimine
CID 10661477
methyl-diphenyl-(2-phenylbut-3-en-2-yloxy)silane
CID 10947937
trimethyl-[[(2S)-1-[(4S,5R,6R)-5-methyl-2-oxido-4-phenyl-5,6-dihydro-4H-oxazin-2-ium-6-yl]pyrrolidin-2-yl]-diphenylmethoxy]silane
CID 102580762
CID 22638459
CID 22638459
triphenyl-[(2S)-1-[(E)-2-phenylethenyl]pyrrolidin-2-yl]silane
CID 139123609
(2E,6E)-1-(4-chlorophenyl)-8-[(2R)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-6-methylocta-2,6-dien-1-one
CID 102104107
[(2S)-1-dimethoxyphosphorylpyrrolidin-2-yl]-diphenylmethanol
CID 10642322

Frequently Asked Questions

What is the IUPAC name of [diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-methyl-diphenylsilane?
The IUPAC name of [diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-methyl-diphenylsilane (CID 132597649) is [diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-methyl-diphenylsilane.
What is the SMILES notation for [diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-methyl-diphenylsilane?
The canonical SMILES for [diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-methyl-diphenylsilane is C/C=C/N1CCC[C@H]1C(O[Si](C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-methyl-diphenylsilane?
The InChIKey is RQIQLKGZHQVBJE-DEYAGCHNSA-N. The full InChI is InChI=1S/C33H35NOSi/c1-3-26-34-27-16-25-32(34)33(28-17-8-4-9-18-28,29-19-10-5-11-20-29)35-36(2,30-21-12-6-13-22-30)31-23-14-7-15-24-31/h3-15,17-24,26,32H,16,25,27H2,1-2H3/b26-3+/t32-/m0/s1.
What are the key properties of [diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-methyl-diphenylsilane?
[diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-methyl-diphenylsilane has a molecular weight of 489.74 g/mol, XLogP of 6.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-methyl-diphenylsilane is sourced from PubChem (CID 132597649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).