[2-(pyrrolidine-1-carbonyloxy)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl] pyrrolidine-1-carboxylate

C19H32N4O5Si — CID 162131335

IUPAC[2-(pyrrolidine-1-carbonyloxy)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl] pyrrolidine-1-carboxylate
SMILESC[Si](C)(C)CCOCn1c(OC(=O)N2CCCC2)cnc1OC(=O)N1CCCC1
InChIInChI=1S/C19H32N4O5Si/c1-29(2,3)13-12-26-15-23-16(27-18(24)21-8-4-5-9-21)14-20-17(23)28-19(25)22-10-6-7-11-22/h14H,4-13,15H2,1-3H3
InChIKeyZIRXQICWQBWKKD-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.38
Rot. Bonds7

About [2-(pyrrolidine-1-carbonyloxy)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl] pyrrolidine-1-carboxylate

[2-(pyrrolidine-1-carbonyloxy)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl] pyrrolidine-1-carboxylate (PubChem CID 162131335) has the molecular formula C19H32N4O5Si and a molecular weight of 424.57 g/mol. Its IUPAC name is [2-(pyrrolidine-1-carbonyloxy)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl] pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[2-(pyrrolidine-1-carbonyloxy)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl] pyrrolidine-1-carboxylate
PubChem CID162131335
Molecular FormulaC19H32N4O5Si
Molecular Weight424.57 g/mol
Exact Mass424.21
IUPAC Name[2-(pyrrolidine-1-carbonyloxy)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl] pyrrolidine-1-carboxylate
SMILESC[Si](C)(C)CCOCn1c(OC(=O)N2CCCC2)cnc1OC(=O)N1CCCC1
InChIInChI=1S/C19H32N4O5Si/c1-29(2,3)13-12-26-15-23-16(27-18(24)21-8-4-5-9-21)14-20-17(23)28-19(25)22-10-6-7-11-22/h14H,4-13,15H2,1-3H3
InChIKeyZIRXQICWQBWKKD-UHFFFAOYSA-N
XLogP3.38
TPSA86.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(pyrrolidine-1-carbonyloxy)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl] pyrrolidine-1-carboxylate?
The IUPAC name of [2-(pyrrolidine-1-carbonyloxy)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl] pyrrolidine-1-carboxylate (CID 162131335) is [2-(pyrrolidine-1-carbonyloxy)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl] pyrrolidine-1-carboxylate.
What is the SMILES notation for [2-(pyrrolidine-1-carbonyloxy)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl] pyrrolidine-1-carboxylate?
The canonical SMILES for [2-(pyrrolidine-1-carbonyloxy)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl] pyrrolidine-1-carboxylate is C[Si](C)(C)CCOCn1c(OC(=O)N2CCCC2)cnc1OC(=O)N1CCCC1.
What is the InChIKey of [2-(pyrrolidine-1-carbonyloxy)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl] pyrrolidine-1-carboxylate?
The InChIKey is ZIRXQICWQBWKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O5Si/c1-29(2,3)13-12-26-15-23-16(27-18(24)21-8-4-5-9-21)14-20-17(23)28-19(25)22-10-6-7-11-22/h14H,4-13,15H2,1-3H3.
What are the key properties of [2-(pyrrolidine-1-carbonyloxy)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl] pyrrolidine-1-carboxylate?
[2-(pyrrolidine-1-carbonyloxy)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl] pyrrolidine-1-carboxylate has a molecular weight of 424.57 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyrrolidine-1-carbonyloxy)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl] pyrrolidine-1-carboxylate is sourced from PubChem (CID 162131335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).