(2S,5R)-2-tert-butyl-5-ethenylpyrrolidine

C10H19N — CID 58134999

IUPAC(2S,5R)-2-tert-butyl-5-ethenylpyrrolidine
SMILESC=C[C@H]1CC[C@@H](C(C)(C)C)N1
InChIInChI=1S/C10H19N/c1-5-8-6-7-9(11-8)10(2,3)4/h5,8-9,11H,1,6-7H2,2-4H3/t8-,9-/m0/s1
InChIKeyHGMCOGLYSKYOFY-IUCAKERBSA-N
MW153.27 g/mol
LogP2.34
Rot. Bonds1

About (2S,5R)-2-tert-butyl-5-ethenylpyrrolidine

(2S,5R)-2-tert-butyl-5-ethenylpyrrolidine (PubChem CID 58134999) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (2S,5R)-2-tert-butyl-5-ethenylpyrrolidine.

Molecular Properties

Compound Name(2S,5R)-2-tert-butyl-5-ethenylpyrrolidine
PubChem CID58134999
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(2S,5R)-2-tert-butyl-5-ethenylpyrrolidine
SMILESC=C[C@H]1CC[C@@H](C(C)(C)C)N1
InChIInChI=1S/C10H19N/c1-5-8-6-7-9(11-8)10(2,3)4/h5,8-9,11H,1,6-7H2,2-4H3/t8-,9-/m0/s1
InChIKeyHGMCOGLYSKYOFY-IUCAKERBSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-tert-butyl-5-ethenylpyrrolidine?
The IUPAC name of (2S,5R)-2-tert-butyl-5-ethenylpyrrolidine (CID 58134999) is (2S,5R)-2-tert-butyl-5-ethenylpyrrolidine.
What is the SMILES notation for (2S,5R)-2-tert-butyl-5-ethenylpyrrolidine?
The canonical SMILES for (2S,5R)-2-tert-butyl-5-ethenylpyrrolidine is C=C[C@H]1CC[C@@H](C(C)(C)C)N1.
What is the InChIKey of (2S,5R)-2-tert-butyl-5-ethenylpyrrolidine?
The InChIKey is HGMCOGLYSKYOFY-IUCAKERBSA-N. The full InChI is InChI=1S/C10H19N/c1-5-8-6-7-9(11-8)10(2,3)4/h5,8-9,11H,1,6-7H2,2-4H3/t8-,9-/m0/s1.
What are the key properties of (2S,5R)-2-tert-butyl-5-ethenylpyrrolidine?
(2S,5R)-2-tert-butyl-5-ethenylpyrrolidine has a molecular weight of 153.27 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-tert-butyl-5-ethenylpyrrolidine is sourced from PubChem (CID 58134999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).