tert-butyl (3-oxopyrrolidin-1-yl) carbonate

C9H15NO4 — CID 69288306

IUPACtert-butyl (3-oxopyrrolidin-1-yl) carbonate
SMILESCC(C)(C)OC(=O)ON1CCC(=O)C1
InChIInChI=1S/C9H15NO4/c1-9(2,3)13-8(12)14-10-5-4-7(11)6-10/h4-6H2,1-3H3
InChIKeyWNASNGNBEWJBFB-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.13
Rot. Bonds1

About tert-butyl (3-oxopyrrolidin-1-yl) carbonate

tert-butyl (3-oxopyrrolidin-1-yl) carbonate (PubChem CID 69288306) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is tert-butyl (3-oxopyrrolidin-1-yl) carbonate.

Molecular Properties

Compound Nametert-butyl (3-oxopyrrolidin-1-yl) carbonate
PubChem CID69288306
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nametert-butyl (3-oxopyrrolidin-1-yl) carbonate
SMILESCC(C)(C)OC(=O)ON1CCC(=O)C1
InChIInChI=1S/C9H15NO4/c1-9(2,3)13-8(12)14-10-5-4-7(11)6-10/h4-6H2,1-3H3
InChIKeyWNASNGNBEWJBFB-UHFFFAOYSA-N
XLogP1.13
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3-oxopyrrolidin-1-yl) carbonate?
The IUPAC name of tert-butyl (3-oxopyrrolidin-1-yl) carbonate (CID 69288306) is tert-butyl (3-oxopyrrolidin-1-yl) carbonate.
What is the SMILES notation for tert-butyl (3-oxopyrrolidin-1-yl) carbonate?
The canonical SMILES for tert-butyl (3-oxopyrrolidin-1-yl) carbonate is CC(C)(C)OC(=O)ON1CCC(=O)C1.
What is the InChIKey of tert-butyl (3-oxopyrrolidin-1-yl) carbonate?
The InChIKey is WNASNGNBEWJBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-9(2,3)13-8(12)14-10-5-4-7(11)6-10/h4-6H2,1-3H3.
What are the key properties of tert-butyl (3-oxopyrrolidin-1-yl) carbonate?
tert-butyl (3-oxopyrrolidin-1-yl) carbonate has a molecular weight of 201.22 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3-oxopyrrolidin-1-yl) carbonate is sourced from PubChem (CID 69288306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).