2-trimethylsilylethyl 3-pyridin-4-yloxyazetidine-1-carboxylate

C14H22N2O3Si — CID 169000229

IUPAC2-trimethylsilylethyl 3-pyridin-4-yloxyazetidine-1-carboxylate
SMILESC[Si](C)(C)CCOC(=O)N1CC(Oc2ccncc2)C1
InChIInChI=1S/C14H22N2O3Si/c1-20(2,3)9-8-18-14(17)16-10-13(11-16)19-12-4-6-15-7-5-12/h4-7,13H,8-11H2,1-3H3
InChIKeyFPXCCCUJNCPPQK-UHFFFAOYSA-N
MW294.43 g/mol
LogP2.62
Rot. Bonds5

About 2-trimethylsilylethyl 3-pyridin-4-yloxyazetidine-1-carboxylate

2-trimethylsilylethyl 3-pyridin-4-yloxyazetidine-1-carboxylate (PubChem CID 169000229) has the molecular formula C14H22N2O3Si and a molecular weight of 294.43 g/mol. Its IUPAC name is 2-trimethylsilylethyl 3-pyridin-4-yloxyazetidine-1-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 3-pyridin-4-yloxyazetidine-1-carboxylate
PubChem CID169000229
Molecular FormulaC14H22N2O3Si
Molecular Weight294.43 g/mol
Exact Mass294.14
IUPAC Name2-trimethylsilylethyl 3-pyridin-4-yloxyazetidine-1-carboxylate
SMILESC[Si](C)(C)CCOC(=O)N1CC(Oc2ccncc2)C1
InChIInChI=1S/C14H22N2O3Si/c1-20(2,3)9-8-18-14(17)16-10-13(11-16)19-12-4-6-15-7-5-12/h4-7,13H,8-11H2,1-3H3
InChIKeyFPXCCCUJNCPPQK-UHFFFAOYSA-N
XLogP2.62
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-pyridin-4-yloxyazetidine-1-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 3-pyridin-4-yloxyazetidine-1-carboxylate (CID 169000229) is 2-trimethylsilylethyl 3-pyridin-4-yloxyazetidine-1-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 3-pyridin-4-yloxyazetidine-1-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 3-pyridin-4-yloxyazetidine-1-carboxylate is C[Si](C)(C)CCOC(=O)N1CC(Oc2ccncc2)C1.
What is the InChIKey of 2-trimethylsilylethyl 3-pyridin-4-yloxyazetidine-1-carboxylate?
The InChIKey is FPXCCCUJNCPPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3Si/c1-20(2,3)9-8-18-14(17)16-10-13(11-16)19-12-4-6-15-7-5-12/h4-7,13H,8-11H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 3-pyridin-4-yloxyazetidine-1-carboxylate?
2-trimethylsilylethyl 3-pyridin-4-yloxyazetidine-1-carboxylate has a molecular weight of 294.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 3-pyridin-4-yloxyazetidine-1-carboxylate is sourced from PubChem (CID 169000229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).