tert-butyl (1S,5R)-6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

C16H24N2O3 — CID 168683426

IUPACtert-butyl (1S,5R)-6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESC=CC1CC(=O)N(C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)C1
InChIInChI=1S/C16H24N2O3/c1-5-10-6-13(19)18(7-10)14-11-8-17(9-12(11)14)15(20)21-16(2,3)4/h5,10-12,14H,1,6-9H2,2-4H3/t10?,11-,12+,14?
InChIKeyRQEWAIIIVRLIGB-OEIYDUSMSA-N
MW292.38 g/mol
LogP1.89
Rot. Bonds2

About tert-butyl (1S,5R)-6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl (1S,5R)-6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 168683426) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl (1S,5R)-6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (1S,5R)-6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID168683426
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl (1S,5R)-6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESC=CC1CC(=O)N(C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)C1
InChIInChI=1S/C16H24N2O3/c1-5-10-6-13(19)18(7-10)14-11-8-17(9-12(11)14)15(20)21-16(2,3)4/h5,10-12,14H,1,6-9H2,2-4H3/t10?,11-,12+,14?
InChIKeyRQEWAIIIVRLIGB-OEIYDUSMSA-N
XLogP1.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl (1S,5R)-6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 4-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-4-fluoropiperidine-1-carboxylate
CID 168683868
tert-butyl (1R,5S)-3-(4-ethenyl-2-oxopyrrolidin-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 168683427
tert-butyl (1R,5S)-3-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 168683428
Tert-butyl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)-3,3-dimethylpiperidine-1-carboxylate
CID 168683485
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
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 2-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxylate
CID 168683493
Tert-butyl 3-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate
CID 168683494
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 (1S,5R)-6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl (1S,5R)-6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 168683426) is tert-butyl (1S,5R)-6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl (1S,5R)-6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl (1S,5R)-6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate is C=CC1CC(=O)N(C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)C1.
What is the InChIKey of tert-butyl (1S,5R)-6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is RQEWAIIIVRLIGB-OEIYDUSMSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-10-6-13(19)18(7-10)14-11-8-17(9-12(11)14)15(20)21-16(2,3)4/h5,10-12,14H,1,6-9H2,2-4H3/t10?,11-,12+,14?.
What are the key properties of tert-butyl (1S,5R)-6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl (1S,5R)-6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1S,5R)-6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 168683426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).