tert-butyl (2R)-2-ethenyl-5-oxopyrrolidine-1-carboxylate

C11H17NO3 — CID 45113886

IUPACtert-butyl (2R)-2-ethenyl-5-oxopyrrolidine-1-carboxylate
SMILESC=C[C@H]1CCC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C11H17NO3/c1-5-8-6-7-9(13)12(8)10(14)15-11(2,3)4/h5,8H,1,6-7H2,2-4H3/t8-/m0/s1
InChIKeyPXRBKNSGFKJKIA-QMMMGPOBSA-N
MW211.26 g/mol
LogP2.10
Rot. Bonds1

About tert-butyl (2R)-2-ethenyl-5-oxopyrrolidine-1-carboxylate

tert-butyl (2R)-2-ethenyl-5-oxopyrrolidine-1-carboxylate (PubChem CID 45113886) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is tert-butyl (2R)-2-ethenyl-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-ethenyl-5-oxopyrrolidine-1-carboxylate
PubChem CID45113886
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nametert-butyl (2R)-2-ethenyl-5-oxopyrrolidine-1-carboxylate
SMILESC=C[C@H]1CCC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C11H17NO3/c1-5-8-6-7-9(13)12(8)10(14)15-11(2,3)4/h5,8H,1,6-7H2,2-4H3/t8-/m0/s1
InChIKeyPXRBKNSGFKJKIA-QMMMGPOBSA-N
XLogP2.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-ethenyl-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-ethenyl-5-oxopyrrolidine-1-carboxylate (CID 45113886) is tert-butyl (2R)-2-ethenyl-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-ethenyl-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-ethenyl-5-oxopyrrolidine-1-carboxylate is C=C[C@H]1CCC(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-ethenyl-5-oxopyrrolidine-1-carboxylate?
The InChIKey is PXRBKNSGFKJKIA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17NO3/c1-5-8-6-7-9(13)12(8)10(14)15-11(2,3)4/h5,8H,1,6-7H2,2-4H3/t8-/m0/s1.
What are the key properties of tert-butyl (2R)-2-ethenyl-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2R)-2-ethenyl-5-oxopyrrolidine-1-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-ethenyl-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 45113886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).