tert-butyl-[(3R,5S)-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrrolidin-3-yl]oxy-dimethylsilane

C14H28N2OSi — CID 10539885

IUPACtert-butyl-[(3R,5S)-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrrolidin-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CN[C@H](C2=CCNC2)C1
InChIInChI=1S/C14H28N2OSi/c1-14(2,3)18(4,5)17-12-8-13(16-10-12)11-6-7-15-9-11/h6,12-13,15-16H,7-10H2,1-5H3/t12-,13+/m1/s1
InChIKeySFPLVFVEROZUJO-OLZOCXBDSA-N
MW268.48 g/mol
LogP2.27
Rot. Bonds3

About tert-butyl-[(3R,5S)-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrrolidin-3-yl]oxy-dimethylsilane

tert-butyl-[(3R,5S)-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrrolidin-3-yl]oxy-dimethylsilane (PubChem CID 10539885) has the molecular formula C14H28N2OSi and a molecular weight of 268.48 g/mol. Its IUPAC name is tert-butyl-[(3R,5S)-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrrolidin-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,5S)-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrrolidin-3-yl]oxy-dimethylsilane
PubChem CID10539885
Molecular FormulaC14H28N2OSi
Molecular Weight268.48 g/mol
Exact Mass268.20
IUPAC Nametert-butyl-[(3R,5S)-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrrolidin-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CN[C@H](C2=CCNC2)C1
InChIInChI=1S/C14H28N2OSi/c1-14(2,3)18(4,5)17-12-8-13(16-10-12)11-6-7-15-9-11/h6,12-13,15-16H,7-10H2,1-5H3/t12-,13+/m1/s1
InChIKeySFPLVFVEROZUJO-OLZOCXBDSA-N
XLogP2.27
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,5S)-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrrolidin-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R,5S)-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrrolidin-3-yl]oxy-dimethylsilane (CID 10539885) is tert-butyl-[(3R,5S)-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrrolidin-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R,5S)-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrrolidin-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R,5S)-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrrolidin-3-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CN[C@H](C2=CCNC2)C1.
What is the InChIKey of tert-butyl-[(3R,5S)-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrrolidin-3-yl]oxy-dimethylsilane?
The InChIKey is SFPLVFVEROZUJO-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H28N2OSi/c1-14(2,3)18(4,5)17-12-8-13(16-10-12)11-6-7-15-9-11/h6,12-13,15-16H,7-10H2,1-5H3/t12-,13+/m1/s1.
What are the key properties of tert-butyl-[(3R,5S)-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrrolidin-3-yl]oxy-dimethylsilane?
tert-butyl-[(3R,5S)-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrrolidin-3-yl]oxy-dimethylsilane has a molecular weight of 268.48 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,5S)-5-(2,5-dihydro-1H-pyrrol-3-yl)pyrrolidin-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 10539885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).