2-trimethylsilylethyl 2,3-dihydropyrrole-1-carboxylate

C10H19NO2Si — CID 135085711

IUPAC2-trimethylsilylethyl 2,3-dihydropyrrole-1-carboxylate
SMILESC[Si](C)(C)CCOC(=O)N1C=CCC1
InChIInChI=1S/C10H19NO2Si/c1-14(2,3)9-8-13-10(12)11-6-4-5-7-11/h4,6H,5,7-9H2,1-3H3
InChIKeyCXVZHVVEXHQZPA-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.68
Rot. Bonds3

About 2-trimethylsilylethyl 2,3-dihydropyrrole-1-carboxylate

2-trimethylsilylethyl 2,3-dihydropyrrole-1-carboxylate (PubChem CID 135085711) has the molecular formula C10H19NO2Si and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2,3-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2,3-dihydropyrrole-1-carboxylate
PubChem CID135085711
Molecular FormulaC10H19NO2Si
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2-trimethylsilylethyl 2,3-dihydropyrrole-1-carboxylate
SMILESC[Si](C)(C)CCOC(=O)N1C=CCC1
InChIInChI=1S/C10H19NO2Si/c1-14(2,3)9-8-13-10(12)11-6-4-5-7-11/h4,6H,5,7-9H2,1-3H3
InChIKeyCXVZHVVEXHQZPA-UHFFFAOYSA-N
XLogP2.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
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 2-trimethylsilylethyl 2,3-dihydropyrrole-1-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 2,3-dihydropyrrole-1-carboxylate (CID 135085711) is 2-trimethylsilylethyl 2,3-dihydropyrrole-1-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 2,3-dihydropyrrole-1-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 2,3-dihydropyrrole-1-carboxylate is C[Si](C)(C)CCOC(=O)N1C=CCC1.
What is the InChIKey of 2-trimethylsilylethyl 2,3-dihydropyrrole-1-carboxylate?
The InChIKey is CXVZHVVEXHQZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2Si/c1-14(2,3)9-8-13-10(12)11-6-4-5-7-11/h4,6H,5,7-9H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 2,3-dihydropyrrole-1-carboxylate?
2-trimethylsilylethyl 2,3-dihydropyrrole-1-carboxylate has a molecular weight of 213.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2,3-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 135085711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).