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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Related Compounds

1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
1-benzyl-2,2-bis(2-phenylethynyl)pyrrolidine
CID 164666404
1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol
CID 19704375
(1,2-dibenzylazocan-2-yl)methanol
CID 102289051
(4S,5R)-6-benzyl-4-ethenyl-6-azaspiro[4.5]decane
CID 102412352
1-benzyl-2-methyl-2-propan-2-ylpyrrolidine
CID 163258380
4-[(2-benzyl-2-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 122032957
1-benzyl-1-azaspiro[4.4]nonan-9-one
CID 138106111
(5S,9S)-1-benzyl-9-methyl-1-azaspiro[4.4]nonane
CID 102412356
1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927
(2S)-2-benzyl-2-carbonochloridoylpyrrolidine-1-carboxylic acid
CID 118093412
[(2R)-1-benzyl-2-methylpiperidin-2-yl]methanol
CID 97184583

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).