tert-butyl 2-oxo-4-prop-2-enylpyrrolidine-1-carboxylate

C12H19NO3 — CID 134881248

IUPACtert-butyl 2-oxo-4-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CCC1CC(=O)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H19NO3/c1-5-6-9-7-10(14)13(8-9)11(15)16-12(2,3)4/h5,9H,1,6-8H2,2-4H3
InChIKeyUQCZYOARXSLILC-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.35
Rot. Bonds2

About tert-butyl 2-oxo-4-prop-2-enylpyrrolidine-1-carboxylate

tert-butyl 2-oxo-4-prop-2-enylpyrrolidine-1-carboxylate (PubChem CID 134881248) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is tert-butyl 2-oxo-4-prop-2-enylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-oxo-4-prop-2-enylpyrrolidine-1-carboxylate
PubChem CID134881248
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nametert-butyl 2-oxo-4-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CCC1CC(=O)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H19NO3/c1-5-6-9-7-10(14)13(8-9)11(15)16-12(2,3)4/h5,9H,1,6-8H2,2-4H3
InChIKeyUQCZYOARXSLILC-UHFFFAOYSA-N
XLogP2.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (1S,5S)-7-oxo-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylate
CID 11528673
(R)-tert-Butyl 4-(2-methylprop-1-enyl)-2-oxopyrrolidine-1-carboxylate
CID 24881979
tert-butyl (2R)-2-ethenyl-5-oxopyrrolidine-1-carboxylate
CID 45113886
3,3-Diallyl-1-Boc-pyrrolidin-2-one
CID 53493020
Tert-butyl 1-oxo-2-azaspiro[4.4]non-7-ene-2-carboxylate
CID 53493139
Tert-butyl 2-oxo-3-prop-2-enylpiperidine-1-carboxylate
CID 10705160
tert-butyl (3R,5S)-3-ethenyl-5-(2-methylpropyl)-2-oxopyrrolidine-1-carboxylate
CID 46176901
tert-butyl (4S)-2-oxo-4-prop-2-enylpyrrolidine-1-carboxylate
CID 134895615
(4R)-5,5-dimethyl-3-[(2R)-2-methylhex-5-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139192332
Tert-butyl 4-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-4-fluoropiperidine-1-carboxylate
CID 168683868
tert-Butyl 3-allyl-2-oxopyrrolidine-1-carboxylate
CID 10846824
3-(3-Methylhex-5-enoyl)-1,3-oxazolidin-2-one
CID 14972443

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-oxo-4-prop-2-enylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-oxo-4-prop-2-enylpyrrolidine-1-carboxylate (CID 134881248) is tert-butyl 2-oxo-4-prop-2-enylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-oxo-4-prop-2-enylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-oxo-4-prop-2-enylpyrrolidine-1-carboxylate is C=CCC1CC(=O)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 2-oxo-4-prop-2-enylpyrrolidine-1-carboxylate?
The InChIKey is UQCZYOARXSLILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-5-6-9-7-10(14)13(8-9)11(15)16-12(2,3)4/h5,9H,1,6-8H2,2-4H3.
What are the key properties of tert-butyl 2-oxo-4-prop-2-enylpyrrolidine-1-carboxylate?
tert-butyl 2-oxo-4-prop-2-enylpyrrolidine-1-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-oxo-4-prop-2-enylpyrrolidine-1-carboxylate is sourced from PubChem (CID 134881248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).