(2S,3S,4S)-2-ethenyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine

C14H27NO2 — CID 11299479

IUPAC(2S,3S,4S)-2-ethenyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine
SMILESC=C[C@@H]1NC[C@H](OC(C)(C)C)[C@H]1OC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-8-10-12(17-14(5,6)7)11(9-15-10)16-13(2,3)4/h8,10-12,15H,1,9H2,2-7H3/t10-,11-,12-/m0/s1
InChIKeyJXUQYZZLSWFUSS-SRVKXCTJSA-N
MW241.37 g/mol
LogP2.51
Rot. Bonds3

About (2S,3S,4S)-2-ethenyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine

(2S,3S,4S)-2-ethenyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine (PubChem CID 11299479) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (2S,3S,4S)-2-ethenyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine.

Molecular Properties

Compound Name(2S,3S,4S)-2-ethenyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine
PubChem CID11299479
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(2S,3S,4S)-2-ethenyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine
SMILESC=C[C@@H]1NC[C@H](OC(C)(C)C)[C@H]1OC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-8-10-12(17-14(5,6)7)11(9-15-10)16-13(2,3)4/h8,10-12,15H,1,9H2,2-7H3/t10-,11-,12-/m0/s1
InChIKeyJXUQYZZLSWFUSS-SRVKXCTJSA-N
XLogP2.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,3S,4S)-2-ethenyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-2-ethenyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine?
The IUPAC name of (2S,3S,4S)-2-ethenyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine (CID 11299479) is (2S,3S,4S)-2-ethenyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine.
What is the SMILES notation for (2S,3S,4S)-2-ethenyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine?
The canonical SMILES for (2S,3S,4S)-2-ethenyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine is C=C[C@@H]1NC[C@H](OC(C)(C)C)[C@H]1OC(C)(C)C.
What is the InChIKey of (2S,3S,4S)-2-ethenyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine?
The InChIKey is JXUQYZZLSWFUSS-SRVKXCTJSA-N. The full InChI is InChI=1S/C14H27NO2/c1-8-10-12(17-14(5,6)7)11(9-15-10)16-13(2,3)4/h8,10-12,15H,1,9H2,2-7H3/t10-,11-,12-/m0/s1.
What are the key properties of (2S,3S,4S)-2-ethenyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine?
(2S,3S,4S)-2-ethenyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine has a molecular weight of 241.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-2-ethenyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine is sourced from PubChem (CID 11299479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).