ethyl 2-trimethylsilyl-2,5-dihydropyrrole-1-carboxylate

C10H19NO2Si — CID 175157982

IUPACethyl 2-trimethylsilyl-2,5-dihydropyrrole-1-carboxylate
SMILESCCOC(=O)N1CC=CC1[Si](C)(C)C
InChIInChI=1S/C10H19NO2Si/c1-5-13-10(12)11-8-6-7-9(11)14(2,3)4/h6-7,9H,5,8H2,1-4H3
InChIKeyTYIZODWWHNEKHP-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.26
Rot. Bonds2

About ethyl 2-trimethylsilyl-2,5-dihydropyrrole-1-carboxylate

ethyl 2-trimethylsilyl-2,5-dihydropyrrole-1-carboxylate (PubChem CID 175157982) has the molecular formula C10H19NO2Si and a molecular weight of 213.35 g/mol. Its IUPAC name is ethyl 2-trimethylsilyl-2,5-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-trimethylsilyl-2,5-dihydropyrrole-1-carboxylate
PubChem CID175157982
Molecular FormulaC10H19NO2Si
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Nameethyl 2-trimethylsilyl-2,5-dihydropyrrole-1-carboxylate
SMILESCCOC(=O)N1CC=CC1[Si](C)(C)C
InChIInChI=1S/C10H19NO2Si/c1-5-13-10(12)11-8-6-7-9(11)14(2,3)4/h6-7,9H,5,8H2,1-4H3
InChIKeyTYIZODWWHNEKHP-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-trimethylsilyl-2,5-dihydropyrrole-1-carboxylate?
The IUPAC name of ethyl 2-trimethylsilyl-2,5-dihydropyrrole-1-carboxylate (CID 175157982) is ethyl 2-trimethylsilyl-2,5-dihydropyrrole-1-carboxylate.
What is the SMILES notation for ethyl 2-trimethylsilyl-2,5-dihydropyrrole-1-carboxylate?
The canonical SMILES for ethyl 2-trimethylsilyl-2,5-dihydropyrrole-1-carboxylate is CCOC(=O)N1CC=CC1[Si](C)(C)C.
What is the InChIKey of ethyl 2-trimethylsilyl-2,5-dihydropyrrole-1-carboxylate?
The InChIKey is TYIZODWWHNEKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2Si/c1-5-13-10(12)11-8-6-7-9(11)14(2,3)4/h6-7,9H,5,8H2,1-4H3.
What are the key properties of ethyl 2-trimethylsilyl-2,5-dihydropyrrole-1-carboxylate?
ethyl 2-trimethylsilyl-2,5-dihydropyrrole-1-carboxylate has a molecular weight of 213.35 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-trimethylsilyl-2,5-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 175157982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).