[(2R,3S)-2-(bromomethyl)-5-phenyl-3,4-dihydro-2H-pyrrol-3-yl]oxy-trimethylsilane

C14H20BrNOSi — CID 11045626

IUPAC[(2R,3S)-2-(bromomethyl)-5-phenyl-3,4-dihydro-2H-pyrrol-3-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[C@H]1CC(c2ccccc2)=N[C@H]1CBr
InChIInChI=1S/C14H20BrNOSi/c1-18(2,3)17-14-9-12(16-13(14)10-15)11-7-5-4-6-8-11/h4-8,13-14H,9-10H2,1-3H3/t13-,14-/m0/s1
InChIKeyPVDCAQRTRGQQFG-KBPBESRZSA-N
MW326.31 g/mol
LogP3.86
Rot. Bonds4

About [(2R,3S)-2-(bromomethyl)-5-phenyl-3,4-dihydro-2H-pyrrol-3-yl]oxy-trimethylsilane

[(2R,3S)-2-(bromomethyl)-5-phenyl-3,4-dihydro-2H-pyrrol-3-yl]oxy-trimethylsilane (PubChem CID 11045626) has the molecular formula C14H20BrNOSi and a molecular weight of 326.31 g/mol. Its IUPAC name is [(2R,3S)-2-(bromomethyl)-5-phenyl-3,4-dihydro-2H-pyrrol-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2R,3S)-2-(bromomethyl)-5-phenyl-3,4-dihydro-2H-pyrrol-3-yl]oxy-trimethylsilane
PubChem CID11045626
Molecular FormulaC14H20BrNOSi
Molecular Weight326.31 g/mol
Exact Mass325.05
IUPAC Name[(2R,3S)-2-(bromomethyl)-5-phenyl-3,4-dihydro-2H-pyrrol-3-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[C@H]1CC(c2ccccc2)=N[C@H]1CBr
InChIInChI=1S/C14H20BrNOSi/c1-18(2,3)17-14-9-12(16-13(14)10-15)11-7-5-4-6-8-11/h4-8,13-14H,9-10H2,1-3H3/t13-,14-/m0/s1
InChIKeyPVDCAQRTRGQQFG-KBPBESRZSA-N
XLogP3.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(R)-3-(tert-butyldimethylsilyloxy)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 66847764
tert-butyl-[[5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane
CID 66847765
2,2-dimethylpropyl-[[(3R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane
CID 141292480
tert-butyl-[2-[(2R)-5-(2-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane
CID 142588414
tert-butyl-[2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane
CID 142588459
tert-butyl-[2-[(2R)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane
CID 142588559
[2-(bromomethyl)-5-phenyl-3,4-dihydro-2H-pyrrol-3-yl]oxy-trimethylsilane
CID 85378709
[4-bromo-2-(bromomethyl)-5-phenyl-3,4-dihydro-2H-pyrrol-3-yl]oxy-trimethylsilane
CID 101998195
tert-butyl-dimethyl-[[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]methoxy]silane
CID 135017340
tert-butyl-dimethyl-[[(3R)-5-phenyl-3,4-dihydro-2H-pyrrol-3-yl]oxy]silane
CID 11265828
2-[(2R)-5-(2-bromophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy-tert-butyl-dimethylsilane
CID 142588521
trimethyl-[(5-phenyl-3,4-dihydro-2H-pyrrol-3-yl)oxy]silane
CID 85701400

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(bromomethyl)-5-phenyl-3,4-dihydro-2H-pyrrol-3-yl]oxy-trimethylsilane?
The IUPAC name of [(2R,3S)-2-(bromomethyl)-5-phenyl-3,4-dihydro-2H-pyrrol-3-yl]oxy-trimethylsilane (CID 11045626) is [(2R,3S)-2-(bromomethyl)-5-phenyl-3,4-dihydro-2H-pyrrol-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2R,3S)-2-(bromomethyl)-5-phenyl-3,4-dihydro-2H-pyrrol-3-yl]oxy-trimethylsilane?
The canonical SMILES for [(2R,3S)-2-(bromomethyl)-5-phenyl-3,4-dihydro-2H-pyrrol-3-yl]oxy-trimethylsilane is C[Si](C)(C)O[C@H]1CC(c2ccccc2)=N[C@H]1CBr.
What is the InChIKey of [(2R,3S)-2-(bromomethyl)-5-phenyl-3,4-dihydro-2H-pyrrol-3-yl]oxy-trimethylsilane?
The InChIKey is PVDCAQRTRGQQFG-KBPBESRZSA-N. The full InChI is InChI=1S/C14H20BrNOSi/c1-18(2,3)17-14-9-12(16-13(14)10-15)11-7-5-4-6-8-11/h4-8,13-14H,9-10H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of [(2R,3S)-2-(bromomethyl)-5-phenyl-3,4-dihydro-2H-pyrrol-3-yl]oxy-trimethylsilane?
[(2R,3S)-2-(bromomethyl)-5-phenyl-3,4-dihydro-2H-pyrrol-3-yl]oxy-trimethylsilane has a molecular weight of 326.31 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(bromomethyl)-5-phenyl-3,4-dihydro-2H-pyrrol-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 11045626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).