1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-pyrrol-2-yl]ethanone

C13H23NO2Si — CID 158326972

IUPAC1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-pyrrol-2-yl]ethanone
SMILESCC(=O)C1=NC=C(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H23NO2Si/c1-10(15)12-7-11(8-14-12)9-16-17(5,6)13(2,3)4/h8H,7,9H2,1-6H3
InChIKeyRUJYTTBRFVUFFU-UHFFFAOYSA-N
MW253.42 g/mol
LogP3.33
Rot. Bonds4

About 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-pyrrol-2-yl]ethanone

1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-pyrrol-2-yl]ethanone (PubChem CID 158326972) has the molecular formula C13H23NO2Si and a molecular weight of 253.42 g/mol. Its IUPAC name is 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-pyrrol-2-yl]ethanone
PubChem CID158326972
Molecular FormulaC13H23NO2Si
Molecular Weight253.42 g/mol
Exact Mass253.15
IUPAC Name1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-pyrrol-2-yl]ethanone
SMILESCC(=O)C1=NC=C(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H23NO2Si/c1-10(15)12-7-11(8-14-12)9-16-17(5,6)13(2,3)4/h8H,7,9H2,1-6H3
InChIKeyRUJYTTBRFVUFFU-UHFFFAOYSA-N
XLogP3.33
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
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 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-pyrrol-2-yl]ethanone?
The IUPAC name of 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-pyrrol-2-yl]ethanone (CID 158326972) is 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-pyrrol-2-yl]ethanone?
The canonical SMILES for 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-pyrrol-2-yl]ethanone is CC(=O)C1=NC=C(CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-pyrrol-2-yl]ethanone?
The InChIKey is RUJYTTBRFVUFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2Si/c1-10(15)12-7-11(8-14-12)9-16-17(5,6)13(2,3)4/h8H,7,9H2,1-6H3.
What are the key properties of 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-pyrrol-2-yl]ethanone?
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-pyrrol-2-yl]ethanone has a molecular weight of 253.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-pyrrol-2-yl]ethanone is sourced from PubChem (CID 158326972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).