(2S,5R)-2,5-dibenzylpyrrolidine

C18H21N — CID 44598295

IUPAC(2S,5R)-2,5-dibenzylpyrrolidine
SMILESc1ccc(C[C@H]2CC[C@@H](Cc3ccccc3)N2)cc1
InChIInChI=1S/C18H21N/c1-3-7-15(8-4-1)13-17-11-12-18(19-17)14-16-9-5-2-6-10-16/h1-10,17-19H,11-14H2/t17-,18+
InChIKeyJWFLOEKZECISRU-HDICACEKSA-N
MW251.37 g/mol
LogP3.59
Rot. Bonds4

About (2S,5R)-2,5-dibenzylpyrrolidine

(2S,5R)-2,5-dibenzylpyrrolidine (PubChem CID 44598295) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is (2S,5R)-2,5-dibenzylpyrrolidine.

Molecular Properties

Compound Name(2S,5R)-2,5-dibenzylpyrrolidine
PubChem CID44598295
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name(2S,5R)-2,5-dibenzylpyrrolidine
SMILESc1ccc(C[C@H]2CC[C@@H](Cc3ccccc3)N2)cc1
InChIInChI=1S/C18H21N/c1-3-7-15(8-4-1)13-17-11-12-18(19-17)14-16-9-5-2-6-10-16/h1-10,17-19H,11-14H2/t17-,18+
InChIKeyJWFLOEKZECISRU-HDICACEKSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-dibenzylpyrrolidine?
The IUPAC name of (2S,5R)-2,5-dibenzylpyrrolidine (CID 44598295) is (2S,5R)-2,5-dibenzylpyrrolidine.
What is the SMILES notation for (2S,5R)-2,5-dibenzylpyrrolidine?
The canonical SMILES for (2S,5R)-2,5-dibenzylpyrrolidine is c1ccc(C[C@H]2CC[C@@H](Cc3ccccc3)N2)cc1.
What is the InChIKey of (2S,5R)-2,5-dibenzylpyrrolidine?
The InChIKey is JWFLOEKZECISRU-HDICACEKSA-N. The full InChI is InChI=1S/C18H21N/c1-3-7-15(8-4-1)13-17-11-12-18(19-17)14-16-9-5-2-6-10-16/h1-10,17-19H,11-14H2/t17-,18+.
What are the key properties of (2S,5R)-2,5-dibenzylpyrrolidine?
(2S,5R)-2,5-dibenzylpyrrolidine has a molecular weight of 251.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-dibenzylpyrrolidine is sourced from PubChem (CID 44598295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).