1,2-dibenzyl-2-ethenylpyrrolidine

C20H23N — CID 4304758

IUPAC1,2-dibenzyl-2-ethenylpyrrolidine
SMILESC=CC1(Cc2ccccc2)CCCN1Cc1ccccc1
InChIInChI=1S/C20H23N/c1-2-20(16-18-10-5-3-6-11-18)14-9-15-21(20)17-19-12-7-4-8-13-19/h2-8,10-13H,1,9,14-17H2
InChIKeyCXEZANFIOGSBAO-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.45
Rot. Bonds5

About 1,2-dibenzyl-2-ethenylpyrrolidine

1,2-dibenzyl-2-ethenylpyrrolidine (PubChem CID 4304758) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 1,2-dibenzyl-2-ethenylpyrrolidine.

Molecular Properties

Compound Name1,2-dibenzyl-2-ethenylpyrrolidine
PubChem CID4304758
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name1,2-dibenzyl-2-ethenylpyrrolidine
SMILESC=CC1(Cc2ccccc2)CCCN1Cc1ccccc1
InChIInChI=1S/C20H23N/c1-2-20(16-18-10-5-3-6-11-18)14-9-15-21(20)17-19-12-7-4-8-13-19/h2-8,10-13H,1,9,14-17H2
InChIKeyCXEZANFIOGSBAO-UHFFFAOYSA-N
XLogP4.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.45
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-dibenzyl-2-ethenylpyrrolidine?
The IUPAC name of 1,2-dibenzyl-2-ethenylpyrrolidine (CID 4304758) is 1,2-dibenzyl-2-ethenylpyrrolidine.
What is the SMILES notation for 1,2-dibenzyl-2-ethenylpyrrolidine?
The canonical SMILES for 1,2-dibenzyl-2-ethenylpyrrolidine is C=CC1(Cc2ccccc2)CCCN1Cc1ccccc1.
What is the InChIKey of 1,2-dibenzyl-2-ethenylpyrrolidine?
The InChIKey is CXEZANFIOGSBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-2-20(16-18-10-5-3-6-11-18)14-9-15-21(20)17-19-12-7-4-8-13-19/h2-8,10-13H,1,9,14-17H2.
What are the key properties of 1,2-dibenzyl-2-ethenylpyrrolidine?
1,2-dibenzyl-2-ethenylpyrrolidine has a molecular weight of 277.41 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibenzyl-2-ethenylpyrrolidine is sourced from PubChem (CID 4304758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).