tert-butyl pyrrolidin-5-ide-1-carboxylate;zinc

C9H16NO2Zn- — CID 134963293

IUPACtert-butyl pyrrolidin-5-ide-1-carboxylate;zinc
SMILESCC(C)(C)OC(=O)N1[CH-]CCC1.[Zn]
InChIInChI=1S/C9H16NO2.Zn/c1-9(2,3)12-8(11)10-6-4-5-7-10;/h6H,4-5,7H2,1-3H3;/q-1;
InChIKeyIIQHIPDEHJLXAS-UHFFFAOYSA-N
MW235.62 g/mol
LogP2.18
Rot. Bonds

About tert-butyl pyrrolidin-5-ide-1-carboxylate;zinc

tert-butyl pyrrolidin-5-ide-1-carboxylate;zinc (PubChem CID 134963293) has the molecular formula C9H16NO2Zn- and a molecular weight of 235.62 g/mol. Its IUPAC name is tert-butyl pyrrolidin-5-ide-1-carboxylate;zinc.

Molecular Properties

Compound Nametert-butyl pyrrolidin-5-ide-1-carboxylate;zinc
PubChem CID134963293
Molecular FormulaC9H16NO2Zn-
Molecular Weight235.62 g/mol
Exact Mass234.05
IUPAC Nametert-butyl pyrrolidin-5-ide-1-carboxylate;zinc
SMILESCC(C)(C)OC(=O)N1[CH-]CCC1.[Zn]
InChIInChI=1S/C9H16NO2.Zn/c1-9(2,3)12-8(11)10-6-4-5-7-10;/h6H,4-5,7H2,1-3H3;/q-1;
InChIKeyIIQHIPDEHJLXAS-UHFFFAOYSA-N
XLogP2.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.62
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl pyrrolidin-5-ide-1-carboxylate;zinc?
The IUPAC name of tert-butyl pyrrolidin-5-ide-1-carboxylate;zinc (CID 134963293) is tert-butyl pyrrolidin-5-ide-1-carboxylate;zinc.
What is the SMILES notation for tert-butyl pyrrolidin-5-ide-1-carboxylate;zinc?
The canonical SMILES for tert-butyl pyrrolidin-5-ide-1-carboxylate;zinc is CC(C)(C)OC(=O)N1[CH-]CCC1.[Zn].
What is the InChIKey of tert-butyl pyrrolidin-5-ide-1-carboxylate;zinc?
The InChIKey is IIQHIPDEHJLXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO2.Zn/c1-9(2,3)12-8(11)10-6-4-5-7-10;/h6H,4-5,7H2,1-3H3;/q-1;.
What are the key properties of tert-butyl pyrrolidin-5-ide-1-carboxylate;zinc?
tert-butyl pyrrolidin-5-ide-1-carboxylate;zinc has a molecular weight of 235.62 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl pyrrolidin-5-ide-1-carboxylate;zinc is sourced from PubChem (CID 134963293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).