1,2-ditert-butyl-3-prop-2-enylpyrrolidine

C15H29N — CID 59701513

IUPAC1,2-ditert-butyl-3-prop-2-enylpyrrolidine
SMILESC=CCC1CCN(C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C15H29N/c1-8-9-12-10-11-16(15(5,6)7)13(12)14(2,3)4/h8,12-13H,1,9-11H2,2-7H3
InChIKeyQXZGWQFWXSTISV-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.10
Rot. Bonds2

About 1,2-ditert-butyl-3-prop-2-enylpyrrolidine

1,2-ditert-butyl-3-prop-2-enylpyrrolidine (PubChem CID 59701513) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 1,2-ditert-butyl-3-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name1,2-ditert-butyl-3-prop-2-enylpyrrolidine
PubChem CID59701513
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name1,2-ditert-butyl-3-prop-2-enylpyrrolidine
SMILESC=CCC1CCN(C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C15H29N/c1-8-9-12-10-11-16(15(5,6)7)13(12)14(2,3)4/h8,12-13H,1,9-11H2,2-7H3
InChIKeyQXZGWQFWXSTISV-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.10
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 1,2-ditert-butyl-3-prop-2-enylpyrrolidine?
The IUPAC name of 1,2-ditert-butyl-3-prop-2-enylpyrrolidine (CID 59701513) is 1,2-ditert-butyl-3-prop-2-enylpyrrolidine.
What is the SMILES notation for 1,2-ditert-butyl-3-prop-2-enylpyrrolidine?
The canonical SMILES for 1,2-ditert-butyl-3-prop-2-enylpyrrolidine is C=CCC1CCN(C(C)(C)C)C1C(C)(C)C.
What is the InChIKey of 1,2-ditert-butyl-3-prop-2-enylpyrrolidine?
The InChIKey is QXZGWQFWXSTISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-8-9-12-10-11-16(15(5,6)7)13(12)14(2,3)4/h8,12-13H,1,9-11H2,2-7H3.
What are the key properties of 1,2-ditert-butyl-3-prop-2-enylpyrrolidine?
1,2-ditert-butyl-3-prop-2-enylpyrrolidine has a molecular weight of 223.40 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-3-prop-2-enylpyrrolidine is sourced from PubChem (CID 59701513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).