(1S)-2-(1-methylsiliran-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol

C9H19NOSi — CID 142507527

IUPAC(1S)-2-(1-methylsiliran-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
SMILESC[Si]1(C[C@@H](O)[C@@H]2CCCN2)CC1
InChIInChI=1S/C9H19NOSi/c1-12(5-6-12)7-9(11)8-3-2-4-10-8/h8-11H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyPTPRYMICOKJGFO-DTWKUNHWSA-N
MW185.34 g/mol
LogP1.19
Rot. Bonds3

About (1S)-2-(1-methylsiliran-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol

(1S)-2-(1-methylsiliran-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol (PubChem CID 142507527) has the molecular formula C9H19NOSi and a molecular weight of 185.34 g/mol. Its IUPAC name is (1S)-2-(1-methylsiliran-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-(1-methylsiliran-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
PubChem CID142507527
Molecular FormulaC9H19NOSi
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name(1S)-2-(1-methylsiliran-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
SMILESC[Si]1(C[C@@H](O)[C@@H]2CCCN2)CC1
InChIInChI=1S/C9H19NOSi/c1-12(5-6-12)7-9(11)8-3-2-4-10-8/h8-11H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyPTPRYMICOKJGFO-DTWKUNHWSA-N
XLogP1.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
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 (1S)-2-(1-methylsiliran-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol?
The IUPAC name of (1S)-2-(1-methylsiliran-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol (CID 142507527) is (1S)-2-(1-methylsiliran-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1S)-2-(1-methylsiliran-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol?
The canonical SMILES for (1S)-2-(1-methylsiliran-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol is C[Si]1(C[C@@H](O)[C@@H]2CCCN2)CC1.
What is the InChIKey of (1S)-2-(1-methylsiliran-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol?
The InChIKey is PTPRYMICOKJGFO-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H19NOSi/c1-12(5-6-12)7-9(11)8-3-2-4-10-8/h8-11H,2-7H2,1H3/t8-,9+/m0/s1.
What are the key properties of (1S)-2-(1-methylsiliran-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol?
(1S)-2-(1-methylsiliran-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol has a molecular weight of 185.34 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(1-methylsiliran-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 142507527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).