2-trimethylsilylethyl 5-(hydroxymethyl)-2,3-dihydropyrrole-1-carboxylate

C11H21NO3Si — CID 175906398

IUPAC2-trimethylsilylethyl 5-(hydroxymethyl)-2,3-dihydropyrrole-1-carboxylate
SMILESC[Si](C)(C)CCOC(=O)N1CCC=C1CO
InChIInChI=1S/C11H21NO3Si/c1-16(2,3)8-7-15-11(14)12-6-4-5-10(12)9-13/h5,13H,4,6-9H2,1-3H3
InChIKeyNOMGECFNYRILCZ-UHFFFAOYSA-N
MW243.38 g/mol
LogP2.04
Rot. Bonds4

About 2-trimethylsilylethyl 5-(hydroxymethyl)-2,3-dihydropyrrole-1-carboxylate

2-trimethylsilylethyl 5-(hydroxymethyl)-2,3-dihydropyrrole-1-carboxylate (PubChem CID 175906398) has the molecular formula C11H21NO3Si and a molecular weight of 243.38 g/mol. Its IUPAC name is 2-trimethylsilylethyl 5-(hydroxymethyl)-2,3-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 5-(hydroxymethyl)-2,3-dihydropyrrole-1-carboxylate
PubChem CID175906398
Molecular FormulaC11H21NO3Si
Molecular Weight243.38 g/mol
Exact Mass243.13
IUPAC Name2-trimethylsilylethyl 5-(hydroxymethyl)-2,3-dihydropyrrole-1-carboxylate
SMILESC[Si](C)(C)CCOC(=O)N1CCC=C1CO
InChIInChI=1S/C11H21NO3Si/c1-16(2,3)8-7-15-11(14)12-6-4-5-10(12)9-13/h5,13H,4,6-9H2,1-3H3
InChIKeyNOMGECFNYRILCZ-UHFFFAOYSA-N
XLogP2.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-trimethylsilylethyl 5-(hydroxymethyl)-2,3-dihydropyrrole-1-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 5-(hydroxymethyl)-2,3-dihydropyrrole-1-carboxylate (CID 175906398) is 2-trimethylsilylethyl 5-(hydroxymethyl)-2,3-dihydropyrrole-1-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 5-(hydroxymethyl)-2,3-dihydropyrrole-1-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 5-(hydroxymethyl)-2,3-dihydropyrrole-1-carboxylate is C[Si](C)(C)CCOC(=O)N1CCC=C1CO.
What is the InChIKey of 2-trimethylsilylethyl 5-(hydroxymethyl)-2,3-dihydropyrrole-1-carboxylate?
The InChIKey is NOMGECFNYRILCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3Si/c1-16(2,3)8-7-15-11(14)12-6-4-5-10(12)9-13/h5,13H,4,6-9H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 5-(hydroxymethyl)-2,3-dihydropyrrole-1-carboxylate?
2-trimethylsilylethyl 5-(hydroxymethyl)-2,3-dihydropyrrole-1-carboxylate has a molecular weight of 243.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 5-(hydroxymethyl)-2,3-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 175906398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).