1-tert-butyl-2-ethenyl-2-methylpyrrolidine

C11H21N — CID 130272180

IUPAC1-tert-butyl-2-ethenyl-2-methylpyrrolidine
SMILESC=CC1(C)CCCN1C(C)(C)C
InChIInChI=1S/C11H21N/c1-6-11(5)8-7-9-12(11)10(2,3)4/h6H,1,7-9H2,2-5H3
InChIKeyFYEDYMUPUPXGPY-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.83
Rot. Bonds1

About 1-tert-butyl-2-ethenyl-2-methylpyrrolidine

1-tert-butyl-2-ethenyl-2-methylpyrrolidine (PubChem CID 130272180) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-tert-butyl-2-ethenyl-2-methylpyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-2-ethenyl-2-methylpyrrolidine
PubChem CID130272180
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-tert-butyl-2-ethenyl-2-methylpyrrolidine
SMILESC=CC1(C)CCCN1C(C)(C)C
InChIInChI=1S/C11H21N/c1-6-11(5)8-7-9-12(11)10(2,3)4/h6H,1,7-9H2,2-5H3
InChIKeyFYEDYMUPUPXGPY-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
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 1-tert-butyl-2-ethenyl-2-methylpyrrolidine?
The IUPAC name of 1-tert-butyl-2-ethenyl-2-methylpyrrolidine (CID 130272180) is 1-tert-butyl-2-ethenyl-2-methylpyrrolidine.
What is the SMILES notation for 1-tert-butyl-2-ethenyl-2-methylpyrrolidine?
The canonical SMILES for 1-tert-butyl-2-ethenyl-2-methylpyrrolidine is C=CC1(C)CCCN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-ethenyl-2-methylpyrrolidine?
The InChIKey is FYEDYMUPUPXGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-6-11(5)8-7-9-12(11)10(2,3)4/h6H,1,7-9H2,2-5H3.
What are the key properties of 1-tert-butyl-2-ethenyl-2-methylpyrrolidine?
1-tert-butyl-2-ethenyl-2-methylpyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-ethenyl-2-methylpyrrolidine is sourced from PubChem (CID 130272180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).