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

C15H24N2O3 — CID 168683486

IUPACtert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
SMILESC=CC1CC(=O)N(C2CCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C15H24N2O3/c1-5-11-8-13(18)17(9-11)12-6-7-16(10-12)14(19)20-15(2,3)4/h5,11-12H,1,6-10H2,2-4H3
InChIKeyKNRHLITUQFVEOO-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.03
Rot. Bonds2

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

tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate (PubChem CID 168683486) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
PubChem CID168683486
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
SMILESC=CC1CC(=O)N(C2CCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C15H24N2O3/c1-5-11-8-13(18)17(9-11)12-6-7-16(10-12)14(19)20-15(2,3)4/h5,11-12H,1,6-10H2,2-4H3
InChIKeyKNRHLITUQFVEOO-UHFFFAOYSA-N
XLogP2.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.03
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

prop-2-enyl (3R)-3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 58430359
Prop-2-enyl 3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 76783985
tert-butyl (3R)-3-(3-methylidene-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 118457064
tert-butyl (3R)-3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 143878743
tert-butyl (3S)-3-(3-methylidene-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 172368242
tert-butyl (1S,5R)-6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 168683426
Tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-hydroxypyrrolidine-1-carboxylate
CID 168683435
tert-butyl (3R)-3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 168683487
Tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168683488
tert-butyl (3R)-3-(4-ethenyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168683490
Tert-butyl 2-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylate
CID 168683492
Tert-butyl 3-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylate
CID 168683495

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate (CID 168683486) is tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate is C=CC1CC(=O)N(C2CCN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
The InChIKey is KNRHLITUQFVEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-11-8-13(18)17(9-11)12-6-7-16(10-12)14(19)20-15(2,3)4/h5,11-12H,1,6-10H2,2-4H3.
What are the key properties of tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 168683486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).