tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-hydroxypyrrolidine-1-carboxylate

C15H24N2O4 — CID 168683435

IUPACtert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-hydroxypyrrolidine-1-carboxylate
SMILESC=CC1CC(=O)N(C2CN(C(=O)OC(C)(C)C)CC2O)C1
InChIInChI=1S/C15H24N2O4/c1-5-10-6-13(19)17(7-10)11-8-16(9-12(11)18)14(20)21-15(2,3)4/h5,10-12,18H,1,6-9H2,2-4H3
InChIKeyLKJRLOFMHLFLAB-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.00
Rot. Bonds2

About tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-hydroxypyrrolidine-1-carboxylate

tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 168683435) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-hydroxypyrrolidine-1-carboxylate
PubChem CID168683435
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nametert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-hydroxypyrrolidine-1-carboxylate
SMILESC=CC1CC(=O)N(C2CN(C(=O)OC(C)(C)C)CC2O)C1
InChIInChI=1S/C15H24N2O4/c1-5-10-6-13(19)17(7-10)11-8-16(9-12(11)18)14(20)21-15(2,3)4/h5,10-12,18H,1,6-9H2,2-4H3
InChIKeyLKJRLOFMHLFLAB-UHFFFAOYSA-N
XLogP1.00
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 168683486
tert-butyl (3R)-3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 168683487

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-hydroxypyrrolidine-1-carboxylate (CID 168683435) is tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-hydroxypyrrolidine-1-carboxylate is C=CC1CC(=O)N(C2CN(C(=O)OC(C)(C)C)CC2O)C1.
What is the InChIKey of tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is LKJRLOFMHLFLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-5-10-6-13(19)17(7-10)11-8-16(9-12(11)18)14(20)21-15(2,3)4/h5,10-12,18H,1,6-9H2,2-4H3.
What are the key properties of tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-hydroxypyrrolidine-1-carboxylate?
tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 168683435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).