trihydroxy-(2-methylpyrrolidin-3-yl)silane

C5H13NO3Si — CID 69078558

IUPACtrihydroxy-(2-methylpyrrolidin-3-yl)silane
SMILESCC1NCCC1[Si](O)(O)O
InChIInChI=1S/C5H13NO3Si/c1-4-5(2-3-6-4)10(7,8)9/h4-9H,2-3H2,1H3
InChIKeyDEBIRQTUHUQSMK-UHFFFAOYSA-N
MW163.25 g/mol
LogP-1.35
Rot. Bonds1

About trihydroxy-(2-methylpyrrolidin-3-yl)silane

trihydroxy-(2-methylpyrrolidin-3-yl)silane (PubChem CID 69078558) has the molecular formula C5H13NO3Si and a molecular weight of 163.25 g/mol. Its IUPAC name is trihydroxy-(2-methylpyrrolidin-3-yl)silane.

Molecular Properties

Compound Nametrihydroxy-(2-methylpyrrolidin-3-yl)silane
PubChem CID69078558
Molecular FormulaC5H13NO3Si
Molecular Weight163.25 g/mol
Exact Mass163.07
IUPAC Nametrihydroxy-(2-methylpyrrolidin-3-yl)silane
SMILESCC1NCCC1[Si](O)(O)O
InChIInChI=1S/C5H13NO3Si/c1-4-5(2-3-6-4)10(7,8)9/h4-9H,2-3H2,1H3
InChIKeyDEBIRQTUHUQSMK-UHFFFAOYSA-N
XLogP-1.35
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.25
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 trihydroxy-(2-methylpyrrolidin-3-yl)silane?
The IUPAC name of trihydroxy-(2-methylpyrrolidin-3-yl)silane (CID 69078558) is trihydroxy-(2-methylpyrrolidin-3-yl)silane.
What is the SMILES notation for trihydroxy-(2-methylpyrrolidin-3-yl)silane?
The canonical SMILES for trihydroxy-(2-methylpyrrolidin-3-yl)silane is CC1NCCC1[Si](O)(O)O.
What is the InChIKey of trihydroxy-(2-methylpyrrolidin-3-yl)silane?
The InChIKey is DEBIRQTUHUQSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3Si/c1-4-5(2-3-6-4)10(7,8)9/h4-9H,2-3H2,1H3.
What are the key properties of trihydroxy-(2-methylpyrrolidin-3-yl)silane?
trihydroxy-(2-methylpyrrolidin-3-yl)silane has a molecular weight of 163.25 g/mol, XLogP of -1.35, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-(2-methylpyrrolidin-3-yl)silane is sourced from PubChem (CID 69078558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).