trimethyl-[2-[[2-[[(2S)-2-methylazetidin-1-yl]methyl]pyrrol-1-yl]methoxy]ethyl]silane

C15H28N2OSi — CID 166517472

IUPACtrimethyl-[2-[[2-[[(2S)-2-methylazetidin-1-yl]methyl]pyrrol-1-yl]methoxy]ethyl]silane
SMILESC[C@H]1CCN1Cc1cccn1COCC[Si](C)(C)C
InChIInChI=1S/C15H28N2OSi/c1-14-7-9-16(14)12-15-6-5-8-17(15)13-18-10-11-19(2,3)4/h5-6,8,14H,7,9-13H2,1-4H3/t14-/m0/s1
InChIKeyHOBVAVYWNSXRTI-AWEZNQCLSA-N
MW280.49 g/mol
LogP3.39
Rot. Bonds7

About trimethyl-[2-[[2-[[(2S)-2-methylazetidin-1-yl]methyl]pyrrol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[2-[[(2S)-2-methylazetidin-1-yl]methyl]pyrrol-1-yl]methoxy]ethyl]silane (PubChem CID 166517472) has the molecular formula C15H28N2OSi and a molecular weight of 280.49 g/mol. Its IUPAC name is trimethyl-[2-[[2-[[(2S)-2-methylazetidin-1-yl]methyl]pyrrol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[2-[[(2S)-2-methylazetidin-1-yl]methyl]pyrrol-1-yl]methoxy]ethyl]silane
PubChem CID166517472
Molecular FormulaC15H28N2OSi
Molecular Weight280.49 g/mol
Exact Mass280.20
IUPAC Nametrimethyl-[2-[[2-[[(2S)-2-methylazetidin-1-yl]methyl]pyrrol-1-yl]methoxy]ethyl]silane
SMILESC[C@H]1CCN1Cc1cccn1COCC[Si](C)(C)C
InChIInChI=1S/C15H28N2OSi/c1-14-7-9-16(14)12-15-6-5-8-17(15)13-18-10-11-19(2,3)4/h5-6,8,14H,7,9-13H2,1-4H3/t14-/m0/s1
InChIKeyHOBVAVYWNSXRTI-AWEZNQCLSA-N
XLogP3.39
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.49
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[2-[[(2S)-2-methylazetidin-1-yl]methyl]pyrrol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[2-[[(2S)-2-methylazetidin-1-yl]methyl]pyrrol-1-yl]methoxy]ethyl]silane (CID 166517472) is trimethyl-[2-[[2-[[(2S)-2-methylazetidin-1-yl]methyl]pyrrol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[2-[[(2S)-2-methylazetidin-1-yl]methyl]pyrrol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[2-[[(2S)-2-methylazetidin-1-yl]methyl]pyrrol-1-yl]methoxy]ethyl]silane is C[C@H]1CCN1Cc1cccn1COCC[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-[[2-[[(2S)-2-methylazetidin-1-yl]methyl]pyrrol-1-yl]methoxy]ethyl]silane?
The InChIKey is HOBVAVYWNSXRTI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H28N2OSi/c1-14-7-9-16(14)12-15-6-5-8-17(15)13-18-10-11-19(2,3)4/h5-6,8,14H,7,9-13H2,1-4H3/t14-/m0/s1.
What are the key properties of trimethyl-[2-[[2-[[(2S)-2-methylazetidin-1-yl]methyl]pyrrol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[2-[[(2S)-2-methylazetidin-1-yl]methyl]pyrrol-1-yl]methoxy]ethyl]silane has a molecular weight of 280.49 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[2-[[(2S)-2-methylazetidin-1-yl]methyl]pyrrol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 166517472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).