tert-butyl-[[(3S)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane

C16H24ClNOSi — CID 140831072

IUPACtert-butyl-[[(3S)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CN=C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H24ClNOSi/c1-16(2,3)20(4,5)19-14-10-15(18-11-14)12-6-8-13(17)9-7-12/h6-9,14H,10-11H2,1-5H3/t14-/m0/s1
InChIKeyRMWACLXVHJQZIL-AWEZNQCLSA-N
MW309.91 g/mol
LogP4.92
Rot. Bonds3

About tert-butyl-[[(3S)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane

tert-butyl-[[(3S)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane (PubChem CID 140831072) has the molecular formula C16H24ClNOSi and a molecular weight of 309.91 g/mol. Its IUPAC name is tert-butyl-[[(3S)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(3S)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane
PubChem CID140831072
Molecular FormulaC16H24ClNOSi
Molecular Weight309.91 g/mol
Exact Mass309.13
IUPAC Nametert-butyl-[[(3S)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CN=C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H24ClNOSi/c1-16(2,3)20(4,5)19-14-10-15(18-11-14)12-6-8-13(17)9-7-12/h6-9,14H,10-11H2,1-5H3/t14-/m0/s1
InChIKeyRMWACLXVHJQZIL-AWEZNQCLSA-N
XLogP4.92
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.91
LogP ≤ 54.92
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 tert-butyl-[[(3S)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(3S)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane (CID 140831072) is tert-butyl-[[(3S)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(3S)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(3S)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1CN=C(c2ccc(Cl)cc2)C1.
What is the InChIKey of tert-butyl-[[(3S)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane?
The InChIKey is RMWACLXVHJQZIL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24ClNOSi/c1-16(2,3)20(4,5)19-14-10-15(18-11-14)12-6-8-13(17)9-7-12/h6-9,14H,10-11H2,1-5H3/t14-/m0/s1.
What are the key properties of tert-butyl-[[(3S)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane?
tert-butyl-[[(3S)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane has a molecular weight of 309.91 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(3S)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 140831072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).