tert-butyl (2R)-2-pent-4-enylpyrrolidine-1-carboxylate

C14H25NO2 — CID 162403145

IUPACtert-butyl (2R)-2-pent-4-enylpyrrolidine-1-carboxylate
SMILESC=CCCC[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-5-6-7-9-12-10-8-11-15(12)13(16)17-14(2,3)4/h5,12H,1,6-11H2,2-4H3/t12-/m1/s1
InChIKeyYSVGXWLXZBTGAA-GFCCVEGCSA-N
MW239.36 g/mol
LogP3.74
Rot. Bonds4

About tert-butyl (2R)-2-pent-4-enylpyrrolidine-1-carboxylate

tert-butyl (2R)-2-pent-4-enylpyrrolidine-1-carboxylate (PubChem CID 162403145) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is tert-butyl (2R)-2-pent-4-enylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-pent-4-enylpyrrolidine-1-carboxylate
PubChem CID162403145
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nametert-butyl (2R)-2-pent-4-enylpyrrolidine-1-carboxylate
SMILESC=CCCC[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-5-6-7-9-12-10-8-11-15(12)13(16)17-14(2,3)4/h5,12H,1,6-11H2,2-4H3/t12-/m1/s1
InChIKeyYSVGXWLXZBTGAA-GFCCVEGCSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl (2R)-2-pent-4-enylpyrrolidine-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 2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate
CID 3755290
2-Vinylpyrrolidine, N-BOC protected
CID 13905156
(2S)-N-tert-butoxycarbonyl-2-vinylpyrrolidine
CID 11084803
tert-Butyl (2R)-2-ethenylpyrrolidine-1-carboxylate
CID 12185972
tert-butyl 2-Vinylpiperidine-1-carboxylate
CID 14898394
Tert-butyl 9-azabicyclo[4.2.1]non-3-ene-9-carboxylate
CID 73001265
tert-butyl (1R,4S)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 10488092
Tert-butyl 2-(prop-2-en-1-yl)piperidine-1-carboxylate
CID 10656811
tert-Butyl (S)-2-vinylpiperidine-1-carboxylate
CID 11229595
tert-butyl (2S)-2-prop-1-en-2-ylpyrrolidine-1-carboxylate
CID 11275862
Tert-butyl 7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 15411266
tert-butyl (2S)-2-allylpyrrolidine-1-carboxylate
CID 15637736

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-pent-4-enylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-pent-4-enylpyrrolidine-1-carboxylate (CID 162403145) is tert-butyl (2R)-2-pent-4-enylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-pent-4-enylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-pent-4-enylpyrrolidine-1-carboxylate is C=CCCC[C@@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-pent-4-enylpyrrolidine-1-carboxylate?
The InChIKey is YSVGXWLXZBTGAA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-6-7-9-12-10-8-11-15(12)13(16)17-14(2,3)4/h5,12H,1,6-11H2,2-4H3/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-2-pent-4-enylpyrrolidine-1-carboxylate?
tert-butyl (2R)-2-pent-4-enylpyrrolidine-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-pent-4-enylpyrrolidine-1-carboxylate is sourced from PubChem (CID 162403145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).