3-but-3-enyl-1-tert-butyl-3-methylpyrrolidine

C13H25N — CID 175530894

IUPAC3-but-3-enyl-1-tert-butyl-3-methylpyrrolidine
SMILESC=CCCC1(C)CCN(C(C)(C)C)C1
InChIInChI=1S/C13H25N/c1-6-7-8-13(5)9-10-14(11-13)12(2,3)4/h6H,1,7-11H2,2-5H3
InChIKeyKASCEOCVLVBBOS-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.46
Rot. Bonds3

About 3-but-3-enyl-1-tert-butyl-3-methylpyrrolidine

3-but-3-enyl-1-tert-butyl-3-methylpyrrolidine (PubChem CID 175530894) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 3-but-3-enyl-1-tert-butyl-3-methylpyrrolidine.

Molecular Properties

Compound Name3-but-3-enyl-1-tert-butyl-3-methylpyrrolidine
PubChem CID175530894
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name3-but-3-enyl-1-tert-butyl-3-methylpyrrolidine
SMILESC=CCCC1(C)CCN(C(C)(C)C)C1
InChIInChI=1S/C13H25N/c1-6-7-8-13(5)9-10-14(11-13)12(2,3)4/h6H,1,7-11H2,2-5H3
InChIKeyKASCEOCVLVBBOS-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.46
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 3-but-3-enyl-1-tert-butyl-3-methylpyrrolidine?
The IUPAC name of 3-but-3-enyl-1-tert-butyl-3-methylpyrrolidine (CID 175530894) is 3-but-3-enyl-1-tert-butyl-3-methylpyrrolidine.
What is the SMILES notation for 3-but-3-enyl-1-tert-butyl-3-methylpyrrolidine?
The canonical SMILES for 3-but-3-enyl-1-tert-butyl-3-methylpyrrolidine is C=CCCC1(C)CCN(C(C)(C)C)C1.
What is the InChIKey of 3-but-3-enyl-1-tert-butyl-3-methylpyrrolidine?
The InChIKey is KASCEOCVLVBBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-6-7-8-13(5)9-10-14(11-13)12(2,3)4/h6H,1,7-11H2,2-5H3.
What are the key properties of 3-but-3-enyl-1-tert-butyl-3-methylpyrrolidine?
3-but-3-enyl-1-tert-butyl-3-methylpyrrolidine has a molecular weight of 195.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-1-tert-butyl-3-methylpyrrolidine is sourced from PubChem (CID 175530894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).