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

C23H31NOSi — CID 101465355

IUPAC[diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-trimethylsilane
SMILESC/C=C/N1CCC[C@H]1C(O[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NOSi/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,12,17,19H2,1-4H3/b18-5+/t22-/m0/s1
InChIKeyHROPRAXIVRSEIH-HVRLMCRZSA-N
MW365.59 g/mol
LogP5.78
Rot. Bonds6

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

[diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-trimethylsilane (PubChem CID 101465355) has the molecular formula C23H31NOSi and a molecular weight of 365.59 g/mol. Its IUPAC name is [diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-trimethylsilane.

Molecular Properties

Compound Name[diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-trimethylsilane
PubChem CID101465355
Molecular FormulaC23H31NOSi
Molecular Weight365.59 g/mol
Exact Mass365.22
IUPAC Name[diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-trimethylsilane
SMILESC/C=C/N1CCC[C@H]1C(O[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NOSi/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,12,17,19H2,1-4H3/b18-5+/t22-/m0/s1
InChIKeyHROPRAXIVRSEIH-HVRLMCRZSA-N
XLogP5.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.59
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-trimethylsilane?
The IUPAC name of [diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-trimethylsilane (CID 101465355) is [diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-trimethylsilane.
What is the SMILES notation for [diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-trimethylsilane?
The canonical SMILES for [diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-trimethylsilane is C/C=C/N1CCC[C@H]1C(O[Si](C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-trimethylsilane?
The InChIKey is HROPRAXIVRSEIH-HVRLMCRZSA-N. The full InChI is InChI=1S/C23H31NOSi/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,12,17,19H2,1-4H3/b18-5+/t22-/m0/s1.
What are the key properties of [diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-trimethylsilane?
[diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-trimethylsilane has a molecular weight of 365.59 g/mol, XLogP of 5.78, 6 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]-trimethylsilane is sourced from PubChem (CID 101465355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).