tert-butyl 3-[1-(methylamino)but-3-enyl]pyrrolidine-1-carboxylate

C14H26N2O2 — CID 107092236

IUPACtert-butyl 3-[1-(methylamino)but-3-enyl]pyrrolidine-1-carboxylate
SMILESC=CCC(NC)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N2O2/c1-6-7-12(15-5)11-8-9-16(10-11)13(17)18-14(2,3)4/h6,11-12,15H,1,7-10H2,2-5H3
InChIKeyRUVOGFISDOODOY-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.41
Rot. Bonds4

About tert-butyl 3-[1-(methylamino)but-3-enyl]pyrrolidine-1-carboxylate

tert-butyl 3-[1-(methylamino)but-3-enyl]pyrrolidine-1-carboxylate (PubChem CID 107092236) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl 3-[1-(methylamino)but-3-enyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(methylamino)but-3-enyl]pyrrolidine-1-carboxylate
PubChem CID107092236
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl 3-[1-(methylamino)but-3-enyl]pyrrolidine-1-carboxylate
SMILESC=CCC(NC)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N2O2/c1-6-7-12(15-5)11-8-9-16(10-11)13(17)18-14(2,3)4/h6,11-12,15H,1,7-10H2,2-5H3
InChIKeyRUVOGFISDOODOY-UHFFFAOYSA-N
XLogP2.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl 3-[1-(methylamino)but-3-enyl]pyrrolidine-1-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 3-[2-cyclopentyl-1-(methylamino)ethyl]pyrrolidine-1-carboxylate
CID 107092330
tert-butyl 3-[4,4-dimethyl-1-(methylamino)pentyl]pyrrolidine-1-carboxylate
CID 107092341
tert-butyl (3S)-3-(1-hydroxybut-3-enyl)pyrrolidine-1-carboxylate
CID 59536652
tert-butyl 3-[1-(ethylamino)pent-4-enyl]pyrrolidine-1-carboxylate
CID 107092460
tert-butyl (3R)-3-[(1R)-3-hydroxy-1-(methylamino)propyl]piperidine-1-carboxylate
CID 97167731
tert-butyl 3-[2-(2-bicyclo[2.2.1]heptanyl)-1-(methylamino)ethyl]pyrrolidine-1-carboxylate
CID 107092588
tert-butyl 3-(1-aminopent-4-enyl)pyrrolidine-1-carboxylate
CID 107092458
tert-butyl 3-(2-cyclobutyl-1-hydrazinylethyl)pyrrolidine-1-carboxylate
CID 107093178
tert-butyl 3-(1-fluoropent-4-enyl)pyrrolidine-1-carboxylate
CID 146486000
tert-butyl 3-[1-(ethylamino)-3-methylbut-3-enyl]pyrrolidine-1-carboxylate
CID 107092540
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl (3S)-3-[(1S)-1-hydroxypropyl]pyrrolidine-1-carboxylate
CID 58104614

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(methylamino)but-3-enyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-(methylamino)but-3-enyl]pyrrolidine-1-carboxylate (CID 107092236) is tert-butyl 3-[1-(methylamino)but-3-enyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(methylamino)but-3-enyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(methylamino)but-3-enyl]pyrrolidine-1-carboxylate is C=CCC(NC)C1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-(methylamino)but-3-enyl]pyrrolidine-1-carboxylate?
The InChIKey is RUVOGFISDOODOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-6-7-12(15-5)11-8-9-16(10-11)13(17)18-14(2,3)4/h6,11-12,15H,1,7-10H2,2-5H3.
What are the key properties of tert-butyl 3-[1-(methylamino)but-3-enyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[1-(methylamino)but-3-enyl]pyrrolidine-1-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(methylamino)but-3-enyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 107092236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).